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/8uys-48fd1ef8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8uys-48fd1ef8/inputs/seq.fa: 1 curr_seq: _GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC 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 124 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: 625 n_atoms_counter: 625 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 124.000000 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/8uys-48fd1ef8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8uys-48fd1ef8/inputs/seq.fa: 1 curr_seq: _GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC 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 124 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: 625 n_atoms_counter: 625 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 124.000000 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/8uys-48fd1ef8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8uys-48fd1ef8/inputs/seq.fa: 1 curr_seq: _GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC 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 124 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: 625 n_atoms_counter: 625 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 124.000000 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/8uys-48fd1ef8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8uys-48fd1ef8/inputs/seq.fa: 1 curr_seq: _GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC 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 124 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: 625 n_atoms_counter: 625 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 124.000000 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/8uys-48fd1ef8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8uys-48fd1ef8/inputs/seq.fa: 1 curr_seq: _GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC 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 124 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: 625 n_atoms_counter: 625 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 124.000000 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/8uys-48fd1ef8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8uys-48fd1ef8/inputs/seq.fa: 1 curr_seq: _GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC 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 124 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: 625 n_atoms_counter: 625 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 124.000000 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/8uys-48fd1ef8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8uys-48fd1ef8/inputs/seq.fa: 1 curr_seq: _GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC 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 124 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: 625 n_atoms_counter: 625 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 124.000000 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/8uys-48fd1ef8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8uys-48fd1ef8/inputs/seq.fa: 1 curr_seq: _GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC 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 124 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: 625 n_atoms_counter: 625 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 124.000000 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/8uys-48fd1ef8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8uys-48fd1ef8/inputs/seq.fa: 1 curr_seq: _GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC 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 124 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: 625 n_atoms_counter: 625 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 124.000000 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/8uys-48fd1ef8/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8uys-48fd1ef8/inputs/seq.fa: 1 curr_seq: _GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAGAUGGAGAGCCUUGUCCC 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 124 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: 625 n_atoms_counter: 625 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 124.000000 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: -481.671569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.671569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.671569 (E_RNA) where: Base-Base interactions energy: 1.135 where: short stacking energy: 1.135 Base-Backbone interact. energy: -0.000 local terms energy: -482.806747 where: bonds (distance) C4'-P energy: -120.476 bonds (distance) P-C4' energy: -111.832 flat angles C4'-P-C4' energy: -91.044 flat angles P-C4'-P energy: -104.144 tors. eta vs tors. theta energy: -55.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -481.671569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.671569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.671569 (E_RNA) where: Base-Base interactions energy: 1.135 where: short stacking energy: 1.135 Base-Backbone interact. energy: -0.000 local terms energy: -482.806747 where: bonds (distance) C4'-P energy: -120.476 bonds (distance) P-C4' energy: -111.832 flat angles C4'-P-C4' energy: -91.044 flat angles P-C4'-P energy: -104.144 tors. eta vs tors. theta energy: -55.311 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -481.671569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.671569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.671569 (E_RNA) where: Base-Base interactions energy: 1.135 where: short stacking energy: 1.135 Base-Backbone interact. energy: -0.000 local terms energy: -482.806747 where: bonds (distance) C4'-P energy: -120.476 bonds (distance) P-C4' energy: -111.832 flat angles C4'-P-C4' energy: -91.044 flat angles P-C4'-P energy: -104.144 tors. eta vs tors. theta energy: -55.311 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -481.671569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.671569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.671569 (E_RNA) where: Base-Base interactions energy: 1.135 where: short stacking energy: 1.135 Base-Backbone interact. energy: -0.000 local terms energy: -482.806747 where: bonds (distance) C4'-P energy: -120.476 bonds (distance) P-C4' energy: -111.832 flat angles C4'-P-C4' energy: -91.044 flat angles P-C4'-P energy: -104.144 tors. eta vs tors. theta energy: -55.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -481.671569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.671569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.671569 (E_RNA) where: Base-Base interactions energy: 1.135 where: short stacking energy: 1.135 Base-Backbone interact. energy: -0.000 local terms energy: -482.806747 where: bonds (distance) C4'-P energy: -120.476 bonds (distance) P-C4' energy: -111.832 flat angles C4'-P-C4' energy: -91.044 flat angles P-C4'-P energy: -104.144 tors. eta vs tors. theta energy: -55.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -481.671569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.671569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.671569 (E_RNA) where: Base-Base interactions energy: 1.135 where: short stacking energy: 1.135 Base-Backbone interact. energy: -0.000 local terms energy: -482.806747 where: bonds (distance) C4'-P energy: -120.476 bonds (distance) P-C4' energy: -111.832 flat angles C4'-P-C4' energy: -91.044 flat angles P-C4'-P energy: -104.144 tors. eta vs tors. theta energy: -55.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -481.671569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.671569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.671569 (E_RNA) where: Base-Base interactions energy: 1.135 where: short stacking energy: 1.135 Base-Backbone interact. energy: -0.000 local terms energy: -482.806747 where: bonds (distance) C4'-P energy: -120.476 bonds (distance) P-C4' energy: -111.832 flat angles C4'-P-C4' energy: -91.044 flat angles P-C4'-P energy: -104.144 tors. eta vs tors. theta energy: -55.311 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -481.671569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.671569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.671569 (E_RNA) where: Base-Base interactions energy: 1.135 where: short stacking energy: 1.135 Base-Backbone interact. energy: -0.000 local terms energy: -482.806747 where: bonds (distance) C4'-P energy: -120.476 bonds (distance) P-C4' energy: -111.832 flat angles C4'-P-C4' energy: -91.044 flat angles P-C4'-P energy: -104.144 tors. eta vs tors. theta energy: -55.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -481.671569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.671569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.671569 (E_RNA) where: Base-Base interactions energy: 1.135 where: short stacking energy: 1.135 Base-Backbone interact. energy: -0.000 local terms energy: -482.806747 where: bonds (distance) C4'-P energy: -120.476 bonds (distance) P-C4' energy: -111.832 flat angles C4'-P-C4' energy: -91.044 flat angles P-C4'-P energy: -104.144 tors. eta vs tors. theta energy: -55.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -481.671569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.671569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.671569 (E_RNA) where: Base-Base interactions energy: 1.135 where: short stacking energy: 1.135 Base-Backbone interact. energy: -0.000 local terms energy: -482.806747 where: bonds (distance) C4'-P energy: -120.476 bonds (distance) P-C4' energy: -111.832 flat angles C4'-P-C4' energy: -91.044 flat angles P-C4'-P energy: -104.144 tors. eta vs tors. theta energy: -55.311 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -643.615975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.615975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.615975 (E_RNA) where: Base-Base interactions energy: -298.822 where: short stacking energy: -271.526 Base-Backbone interact. energy: -0.323 local terms energy: -344.471313 where: bonds (distance) C4'-P energy: -67.453 bonds (distance) P-C4' energy: -81.933 flat angles C4'-P-C4' energy: -78.378 flat angles P-C4'-P energy: -50.733 tors. eta vs tors. theta energy: -65.973 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -637.322224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.322224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.322224 (E_RNA) where: Base-Base interactions energy: -276.987 where: short stacking energy: -276.987 Base-Backbone interact. energy: -0.111 local terms energy: -360.223411 where: bonds (distance) C4'-P energy: -79.666 bonds (distance) P-C4' energy: -76.224 flat angles C4'-P-C4' energy: -79.385 flat angles P-C4'-P energy: -56.891 tors. eta vs tors. theta energy: -68.057 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -578.347497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.347497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.347497 (E_RNA) where: Base-Base interactions energy: -240.687 where: short stacking energy: -230.519 Base-Backbone interact. energy: -0.060 local terms energy: -337.599564 where: bonds (distance) C4'-P energy: -69.915 bonds (distance) P-C4' energy: -73.619 flat angles C4'-P-C4' energy: -80.009 flat angles P-C4'-P energy: -52.303 tors. eta vs tors. theta energy: -61.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -513.054231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.054231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.054231 (E_RNA) where: Base-Base interactions energy: -196.932 where: short stacking energy: -188.601 Base-Backbone interact. energy: -0.096 local terms energy: -316.026267 where: bonds (distance) C4'-P energy: -73.353 bonds (distance) P-C4' energy: -85.436 flat angles C4'-P-C4' energy: -77.105 flat angles P-C4'-P energy: -40.544 tors. eta vs tors. theta energy: -39.588 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -501.517422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.517422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.517422 (E_RNA) where: Base-Base interactions energy: -72.581 where: short stacking energy: -72.581 Base-Backbone interact. energy: -0.000 local terms energy: -428.935811 where: bonds (distance) C4'-P energy: -99.855 bonds (distance) P-C4' energy: -82.058 flat angles C4'-P-C4' energy: -93.134 flat angles P-C4'-P energy: -96.169 tors. eta vs tors. theta energy: -57.721 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: 2 Temperature: 1.150000 Total energy: -486.798720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.798720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.798720 (E_RNA) where: Base-Base interactions energy: -87.769 where: short stacking energy: -87.769 Base-Backbone interact. energy: -0.000 local terms energy: -399.029456 where: bonds (distance) C4'-P energy: -82.586 bonds (distance) P-C4' energy: -78.932 flat angles C4'-P-C4' energy: -87.897 flat angles P-C4'-P energy: -90.659 tors. eta vs tors. theta energy: -58.955 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -480.883803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.883803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.883803 (E_RNA) where: Base-Base interactions energy: -99.771 where: short stacking energy: -99.771 Base-Backbone interact. energy: -0.000 local terms energy: -381.112573 where: bonds (distance) C4'-P energy: -75.336 bonds (distance) P-C4' energy: -80.261 flat angles C4'-P-C4' energy: -85.273 flat angles P-C4'-P energy: -83.173 tors. eta vs tors. theta energy: -57.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -481.845424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.845424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.845424 (E_RNA) where: Base-Base interactions energy: -4.071 where: short stacking energy: -4.071 Base-Backbone interact. energy: -0.000 local terms energy: -477.774082 where: bonds (distance) C4'-P energy: -118.828 bonds (distance) P-C4' energy: -108.479 flat angles C4'-P-C4' energy: -91.087 flat angles P-C4'-P energy: -103.230 tors. eta vs tors. theta energy: -56.151 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: 2 Temperature: 1.300000 Total energy: -482.085968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.085968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.085968 (E_RNA) where: Base-Base interactions energy: -4.105 where: short stacking energy: -4.105 Base-Backbone interact. energy: -0.000 local terms energy: -477.980549 where: bonds (distance) C4'-P energy: -118.828 bonds (distance) P-C4' energy: -108.486 flat angles C4'-P-C4' energy: -91.068 flat angles P-C4'-P energy: -103.408 tors. eta vs tors. theta energy: -56.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -483.442848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.442848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.442848 (E_RNA) where: Base-Base interactions energy: -56.446 where: short stacking energy: -56.446 Base-Backbone interact. energy: -0.000 local terms energy: -426.996651 where: bonds (distance) C4'-P energy: -97.570 bonds (distance) P-C4' energy: -86.677 flat angles C4'-P-C4' energy: -91.239 flat angles P-C4'-P energy: -93.624 tors. eta vs tors. theta energy: -57.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -709.936084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.936084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.936084 (E_RNA) where: Base-Base interactions energy: -341.310 where: short stacking energy: -291.017 Base-Backbone interact. energy: 2.251 local terms energy: -370.876521 where: bonds (distance) C4'-P energy: -76.079 bonds (distance) P-C4' energy: -89.093 flat angles C4'-P-C4' energy: -84.455 flat angles P-C4'-P energy: -62.658 tors. eta vs tors. theta energy: -58.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -643.243970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.243970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.243970 (E_RNA) where: Base-Base interactions energy: -287.657 where: short stacking energy: -256.548 Base-Backbone interact. energy: 0.916 local terms energy: -356.502583 where: bonds (distance) C4'-P energy: -78.456 bonds (distance) P-C4' energy: -85.716 flat angles C4'-P-C4' energy: -70.498 flat angles P-C4'-P energy: -52.914 tors. eta vs tors. theta energy: -68.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -566.370609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.370609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.370609 (E_RNA) where: Base-Base interactions energy: -248.130 where: short stacking energy: -238.925 Base-Backbone interact. energy: -0.187 local terms energy: -318.053486 where: bonds (distance) C4'-P energy: -76.483 bonds (distance) P-C4' energy: -72.026 flat angles C4'-P-C4' energy: -73.904 flat angles P-C4'-P energy: -45.394 tors. eta vs tors. theta energy: -50.247 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: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -501.567546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.567546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.567546 (E_RNA) where: Base-Base interactions energy: -207.578 where: short stacking energy: -206.302 Base-Backbone interact. energy: -0.580 local terms energy: -293.409428 where: bonds (distance) C4'-P energy: -72.066 bonds (distance) P-C4' energy: -73.957 flat angles C4'-P-C4' energy: -69.761 flat angles P-C4'-P energy: -50.759 tors. eta vs tors. theta energy: -26.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -489.346284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.346284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.346284 (E_RNA) where: Base-Base interactions energy: -213.281 where: short stacking energy: -176.537 Base-Backbone interact. energy: -0.266 local terms energy: -275.798510 where: bonds (distance) C4'-P energy: -59.457 bonds (distance) P-C4' energy: -65.534 flat angles C4'-P-C4' energy: -72.015 flat angles P-C4'-P energy: -45.861 tors. eta vs tors. theta energy: -32.932 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: 3 Temperature: 1.150000 Total energy: -473.297538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.297538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.297538 (E_RNA) where: Base-Base interactions energy: -201.197 where: short stacking energy: -163.341 Base-Backbone interact. energy: 0.139 local terms energy: -272.239548 where: bonds (distance) C4'-P energy: -66.548 bonds (distance) P-C4' energy: -71.149 flat angles C4'-P-C4' energy: -76.930 flat angles P-C4'-P energy: -41.224 tors. eta vs tors. theta energy: -16.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -427.901058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.901058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.901058 (E_RNA) where: Base-Base interactions energy: -179.058 where: short stacking energy: -117.683 Base-Backbone interact. energy: -2.768 local terms energy: -246.075303 where: bonds (distance) C4'-P energy: -68.696 bonds (distance) P-C4' energy: -80.230 flat angles C4'-P-C4' energy: -58.151 flat angles P-C4'-P energy: -40.544 tors. eta vs tors. theta energy: 1.546 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: 3 Temperature: 1.250000 Total energy: -393.504843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.504843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.504843 (E_RNA) where: Base-Base interactions energy: -165.556 where: short stacking energy: -115.612 Base-Backbone interact. energy: 1.951 local terms energy: -229.899753 where: bonds (distance) C4'-P energy: -68.547 bonds (distance) P-C4' energy: -72.141 flat angles C4'-P-C4' energy: -61.368 flat angles P-C4'-P energy: -32.165 tors. eta vs tors. theta energy: 4.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -349.801137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.801137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.801137 (E_RNA) where: Base-Base interactions energy: -116.914 where: short stacking energy: -91.825 Base-Backbone interact. energy: -0.067 local terms energy: -232.820546 where: bonds (distance) C4'-P energy: -67.551 bonds (distance) P-C4' energy: -71.984 flat angles C4'-P-C4' energy: -63.536 flat angles P-C4'-P energy: -32.549 tors. eta vs tors. theta energy: 2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -322.062128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.062128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.062128 (E_RNA) where: Base-Base interactions energy: -122.691 where: short stacking energy: -98.132 Base-Backbone interact. energy: 3.056 local terms energy: -202.427330 where: bonds (distance) C4'-P energy: -56.696 bonds (distance) P-C4' energy: -62.000 flat angles C4'-P-C4' energy: -58.386 flat angles P-C4'-P energy: -37.423 tors. eta vs tors. theta energy: 12.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -749.685675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.685675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.685675 (E_RNA) where: Base-Base interactions energy: -373.769 where: short stacking energy: -303.899 Base-Backbone interact. energy: -0.444 local terms energy: -375.472547 where: bonds (distance) C4'-P energy: -75.516 bonds (distance) P-C4' energy: -84.140 flat angles C4'-P-C4' energy: -82.156 flat angles P-C4'-P energy: -54.264 tors. eta vs tors. theta energy: -79.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -674.281668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.281668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.281668 (E_RNA) where: Base-Base interactions energy: -326.291 where: short stacking energy: -284.623 Base-Backbone interact. energy: 0.506 local terms energy: -348.496267 where: bonds (distance) C4'-P energy: -81.012 bonds (distance) P-C4' energy: -74.988 flat angles C4'-P-C4' energy: -81.862 flat angles P-C4'-P energy: -44.942 tors. eta vs tors. theta energy: -65.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -621.166121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.166121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.166121 (E_RNA) where: Base-Base interactions energy: -284.856 where: short stacking energy: -262.316 Base-Backbone interact. energy: -0.477 local terms energy: -335.832399 where: bonds (distance) C4'-P energy: -72.821 bonds (distance) P-C4' energy: -67.867 flat angles C4'-P-C4' energy: -84.788 flat angles P-C4'-P energy: -45.203 tors. eta vs tors. theta energy: -65.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -570.820722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.820722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.820722 (E_RNA) where: Base-Base interactions energy: -262.738 where: short stacking energy: -216.024 Base-Backbone interact. energy: -0.407 local terms energy: -307.675870 where: bonds (distance) C4'-P energy: -74.564 bonds (distance) P-C4' energy: -69.582 flat angles C4'-P-C4' energy: -81.252 flat angles P-C4'-P energy: -42.589 tors. eta vs tors. theta energy: -39.689 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: 4 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -535.297659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.297659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.297659 (E_RNA) where: Base-Base interactions energy: -239.622 where: short stacking energy: -189.440 Base-Backbone interact. energy: 5.388 local terms energy: -301.063720 where: bonds (distance) C4'-P energy: -72.977 bonds (distance) P-C4' energy: -77.767 flat angles C4'-P-C4' energy: -60.693 flat angles P-C4'-P energy: -56.411 tors. eta vs tors. theta energy: -33.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -486.989868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.989868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.989868 (E_RNA) where: Base-Base interactions energy: -224.479 where: short stacking energy: -173.419 Base-Backbone interact. energy: -0.508 local terms energy: -262.002024 where: bonds (distance) C4'-P energy: -76.667 bonds (distance) P-C4' energy: -67.617 flat angles C4'-P-C4' energy: -59.646 flat angles P-C4'-P energy: -38.846 tors. eta vs tors. theta energy: -19.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -421.850047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.850047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.850047 (E_RNA) where: Base-Base interactions energy: -197.670 where: short stacking energy: -138.065 Base-Backbone interact. energy: 2.509 local terms energy: -226.689058 where: bonds (distance) C4'-P energy: -69.704 bonds (distance) P-C4' energy: -65.734 flat angles C4'-P-C4' energy: -64.885 flat angles P-C4'-P energy: -33.751 tors. eta vs tors. theta energy: 7.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -388.071372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.071372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.071372 (E_RNA) where: Base-Base interactions energy: -153.047 where: short stacking energy: -135.922 Base-Backbone interact. energy: 1.294 local terms energy: -236.319065 where: bonds (distance) C4'-P energy: -60.493 bonds (distance) P-C4' energy: -68.029 flat angles C4'-P-C4' energy: -59.792 flat angles P-C4'-P energy: -40.759 tors. eta vs tors. theta energy: -7.246 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: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -330.561134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.561134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.561134 (E_RNA) where: Base-Base interactions energy: -118.648 where: short stacking energy: -77.662 Base-Backbone interact. energy: -0.462 local terms energy: -211.450933 where: bonds (distance) C4'-P energy: -64.711 bonds (distance) P-C4' energy: -69.988 flat angles C4'-P-C4' energy: -63.703 flat angles P-C4'-P energy: -33.936 tors. eta vs tors. theta energy: 20.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -341.055769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.055769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.055769 (E_RNA) where: Base-Base interactions energy: -121.598 where: short stacking energy: -78.019 Base-Backbone interact. energy: 2.749 local terms energy: -222.206781 where: bonds (distance) C4'-P energy: -58.920 bonds (distance) P-C4' energy: -66.048 flat angles C4'-P-C4' energy: -49.161 flat angles P-C4'-P energy: -44.694 tors. eta vs tors. theta energy: -3.384 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: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -798.470428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.470428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.470428 (E_RNA) where: Base-Base interactions energy: -408.877 where: short stacking energy: -339.477 Base-Backbone interact. energy: -1.861 local terms energy: -387.733320 where: bonds (distance) C4'-P energy: -70.038 bonds (distance) P-C4' energy: -85.609 flat angles C4'-P-C4' energy: -82.960 flat angles P-C4'-P energy: -59.409 tors. eta vs tors. theta energy: -89.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -742.082743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.082743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.082743 (E_RNA) where: Base-Base interactions energy: -403.338 where: short stacking energy: -276.318 Base-Backbone interact. energy: -1.617 local terms energy: -337.127799 where: bonds (distance) C4'-P energy: -87.864 bonds (distance) P-C4' energy: -85.457 flat angles C4'-P-C4' energy: -70.118 flat angles P-C4'-P energy: -38.419 tors. eta vs tors. theta energy: -55.270 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: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -640.544868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.544868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.544868 (E_RNA) where: Base-Base interactions energy: -304.238 where: short stacking energy: -231.734 Base-Backbone interact. energy: -0.148 local terms energy: -336.158784 where: bonds (distance) C4'-P energy: -82.883 bonds (distance) P-C4' energy: -78.080 flat angles C4'-P-C4' energy: -81.456 flat angles P-C4'-P energy: -50.759 tors. eta vs tors. theta energy: -42.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -594.499340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.499340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.499340 (E_RNA) where: Base-Base interactions energy: -291.630 where: short stacking energy: -207.665 Base-Backbone interact. energy: -0.099 local terms energy: -302.770706 where: bonds (distance) C4'-P energy: -69.933 bonds (distance) P-C4' energy: -77.855 flat angles C4'-P-C4' energy: -69.017 flat angles P-C4'-P energy: -43.079 tors. eta vs tors. theta energy: -42.887 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: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -532.125575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.125575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.125575 (E_RNA) where: Base-Base interactions energy: -268.901 where: short stacking energy: -217.646 Base-Backbone interact. energy: 0.426 local terms energy: -263.650532 where: bonds (distance) C4'-P energy: -70.685 bonds (distance) P-C4' energy: -69.454 flat angles C4'-P-C4' energy: -59.631 flat angles P-C4'-P energy: -31.034 tors. eta vs tors. theta energy: -32.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -593.372600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.372600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.372600 (E_RNA) where: Base-Base interactions energy: -305.424 where: short stacking energy: -209.362 Base-Backbone interact. energy: -0.982 local terms energy: -286.966844 where: bonds (distance) C4'-P energy: -68.765 bonds (distance) P-C4' energy: -72.571 flat angles C4'-P-C4' energy: -66.392 flat angles P-C4'-P energy: -50.562 tors. eta vs tors. theta energy: -28.678 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: 5 Temperature: 1.200000 Total energy: -468.223616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.223616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.223616 (E_RNA) where: Base-Base interactions energy: -216.356 where: short stacking energy: -98.845 Base-Backbone interact. energy: 2.141 local terms energy: -254.008581 where: bonds (distance) C4'-P energy: -69.484 bonds (distance) P-C4' energy: -75.202 flat angles C4'-P-C4' energy: -76.170 flat angles P-C4'-P energy: -36.015 tors. eta vs tors. theta energy: 2.863 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: 6 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -392.732504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.732504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.732504 (E_RNA) where: Base-Base interactions energy: -164.174 where: short stacking energy: -133.275 Base-Backbone interact. energy: -1.192 local terms energy: -227.366372 where: bonds (distance) C4'-P energy: -60.558 bonds (distance) P-C4' energy: -53.271 flat angles C4'-P-C4' energy: -51.981 flat angles P-C4'-P energy: -46.937 tors. eta vs tors. theta energy: -14.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -345.974860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.974860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.974860 (E_RNA) where: Base-Base interactions energy: -142.765 where: short stacking energy: -132.628 Base-Backbone interact. energy: -1.438 local terms energy: -201.772344 where: bonds (distance) C4'-P energy: -57.236 bonds (distance) P-C4' energy: -50.853 flat angles C4'-P-C4' energy: -50.967 flat angles P-C4'-P energy: -39.292 tors. eta vs tors. theta energy: -3.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -312.277476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.277476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.277476 (E_RNA) where: Base-Base interactions energy: -100.560 where: short stacking energy: -75.951 Base-Backbone interact. energy: -1.974 local terms energy: -209.743703 where: bonds (distance) C4'-P energy: -73.931 bonds (distance) P-C4' energy: -56.157 flat angles C4'-P-C4' energy: -53.254 flat angles P-C4'-P energy: -42.363 tors. eta vs tors. theta energy: 15.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -857.180082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.180082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.180082 (E_RNA) where: Base-Base interactions energy: -490.034 where: short stacking energy: -317.784 Base-Backbone interact. energy: -1.212 local terms energy: -365.933775 where: bonds (distance) C4'-P energy: -88.209 bonds (distance) P-C4' energy: -75.755 flat angles C4'-P-C4' energy: -85.069 flat angles P-C4'-P energy: -43.698 tors. eta vs tors. theta energy: -73.203 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: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -792.464246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.464246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.464246 (E_RNA) where: Base-Base interactions energy: -427.983 where: short stacking energy: -271.153 Base-Backbone interact. energy: -1.130 local terms energy: -363.351061 where: bonds (distance) C4'-P energy: -84.676 bonds (distance) P-C4' energy: -83.547 flat angles C4'-P-C4' energy: -82.339 flat angles P-C4'-P energy: -44.955 tors. eta vs tors. theta energy: -67.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -692.796651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.796651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.796651 (E_RNA) where: Base-Base interactions energy: -365.182 where: short stacking energy: -224.871 Base-Backbone interact. energy: -0.349 local terms energy: -327.265311 where: bonds (distance) C4'-P energy: -73.685 bonds (distance) P-C4' energy: -86.564 flat angles C4'-P-C4' energy: -79.584 flat angles P-C4'-P energy: -44.700 tors. eta vs tors. theta energy: -42.733 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: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -621.551737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.551737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.551737 (E_RNA) where: Base-Base interactions energy: -309.260 where: short stacking energy: -208.308 Base-Backbone interact. energy: -2.242 local terms energy: -310.049376 where: bonds (distance) C4'-P energy: -80.123 bonds (distance) P-C4' energy: -84.571 flat angles C4'-P-C4' energy: -72.627 flat angles P-C4'-P energy: -46.503 tors. eta vs tors. theta energy: -26.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -749.889854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.889854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.889854 (E_RNA) where: Base-Base interactions energy: -441.493 where: short stacking energy: -214.623 Base-Backbone interact. energy: -1.097 local terms energy: -307.300238 where: bonds (distance) C4'-P energy: -82.306 bonds (distance) P-C4' energy: -81.313 flat angles C4'-P-C4' energy: -67.193 flat angles P-C4'-P energy: -40.573 tors. eta vs tors. theta energy: -35.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -497.346139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.346139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.346139 (E_RNA) where: Base-Base interactions energy: -223.217 where: short stacking energy: -143.667 Base-Backbone interact. energy: -1.386 local terms energy: -272.743096 where: bonds (distance) C4'-P energy: -71.483 bonds (distance) P-C4' energy: -70.921 flat angles C4'-P-C4' energy: -75.193 flat angles P-C4'-P energy: -48.510 tors. eta vs tors. theta energy: -6.636 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: 6 Temperature: 1.200000 Total energy: -523.589471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.589471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.589471 (E_RNA) where: Base-Base interactions energy: -291.879 where: short stacking energy: -150.716 Base-Backbone interact. energy: 1.097 local terms energy: -232.808125 where: bonds (distance) C4'-P energy: -62.236 bonds (distance) P-C4' energy: -70.305 flat angles C4'-P-C4' energy: -54.293 flat angles P-C4'-P energy: -32.680 tors. eta vs tors. theta energy: -13.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -395.992374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.992374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.992374 (E_RNA) where: Base-Base interactions energy: -163.775 where: short stacking energy: -105.344 Base-Backbone interact. energy: -1.738 local terms energy: -230.478916 where: bonds (distance) C4'-P energy: -63.237 bonds (distance) P-C4' energy: -64.590 flat angles C4'-P-C4' energy: -66.533 flat angles P-C4'-P energy: -34.865 tors. eta vs tors. theta energy: -1.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -342.174788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.174788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.174788 (E_RNA) where: Base-Base interactions energy: -105.234 where: short stacking energy: -91.069 Base-Backbone interact. energy: -0.454 local terms energy: -236.487207 where: bonds (distance) C4'-P energy: -59.607 bonds (distance) P-C4' energy: -74.205 flat angles C4'-P-C4' energy: -53.435 flat angles P-C4'-P energy: -45.871 tors. eta vs tors. theta energy: -3.368 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: 6 Temperature: 1.350000 Total energy: -324.005895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.005895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.005895 (E_RNA) where: Base-Base interactions energy: -130.208 where: short stacking energy: -110.691 Base-Backbone interact. energy: -1.418 local terms energy: -192.380282 where: bonds (distance) C4'-P energy: -55.630 bonds (distance) P-C4' energy: -61.466 flat angles C4'-P-C4' energy: -48.577 flat angles P-C4'-P energy: -34.754 tors. eta vs tors. theta energy: 8.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1010.456613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.456613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.456613 (E_RNA) where: Base-Base interactions energy: -632.849 where: short stacking energy: -315.659 Base-Backbone interact. energy: -1.203 local terms energy: -376.405180 where: bonds (distance) C4'-P energy: -73.375 bonds (distance) P-C4' energy: -76.207 flat angles C4'-P-C4' energy: -88.212 flat angles P-C4'-P energy: -52.560 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: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -851.386162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.386162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.386162 (E_RNA) where: Base-Base interactions energy: -509.863 where: short stacking energy: -296.774 Base-Backbone interact. energy: -0.037 local terms energy: -341.486616 where: bonds (distance) C4'-P energy: -77.634 bonds (distance) P-C4' energy: -77.976 flat angles C4'-P-C4' energy: -77.219 flat angles P-C4'-P energy: -44.914 tors. eta vs tors. theta energy: -63.744 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: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -761.600480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.600480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.600480 (E_RNA) where: Base-Base interactions energy: -447.915 where: short stacking energy: -223.131 Base-Backbone interact. energy: 0.223 local terms energy: -313.908557 where: bonds (distance) C4'-P energy: -77.730 bonds (distance) P-C4' energy: -74.066 flat angles C4'-P-C4' energy: -66.229 flat angles P-C4'-P energy: -43.967 tors. eta vs tors. theta energy: -51.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -825.959820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.959820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.959820 (E_RNA) where: Base-Base interactions energy: -526.677 where: short stacking energy: -249.296 Base-Backbone interact. energy: -0.974 local terms energy: -298.308502 where: bonds (distance) C4'-P energy: -64.229 bonds (distance) P-C4' energy: -70.182 flat angles C4'-P-C4' energy: -63.700 flat angles P-C4'-P energy: -53.774 tors. eta vs tors. theta energy: -46.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -552.750248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.750248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.750248 (E_RNA) where: Base-Base interactions energy: -257.730 where: short stacking energy: -165.409 Base-Backbone interact. energy: -1.298 local terms energy: -293.721901 where: bonds (distance) C4'-P energy: -74.711 bonds (distance) P-C4' energy: -61.437 flat angles C4'-P-C4' energy: -77.787 flat angles P-C4'-P energy: -46.484 tors. eta vs tors. theta energy: -33.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -550.115376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.115376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.115376 (E_RNA) where: Base-Base interactions energy: -258.730 where: short stacking energy: -168.404 Base-Backbone interact. energy: -1.939 local terms energy: -289.446614 where: bonds (distance) C4'-P energy: -72.694 bonds (distance) P-C4' energy: -73.194 flat angles C4'-P-C4' energy: -79.421 flat angles P-C4'-P energy: -42.951 tors. eta vs tors. theta energy: -21.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -589.612676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.612676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.612676 (E_RNA) where: Base-Base interactions energy: -328.574 where: short stacking energy: -177.933 Base-Backbone interact. energy: -1.311 local terms energy: -259.727793 where: bonds (distance) C4'-P energy: -69.578 bonds (distance) P-C4' energy: -62.977 flat angles C4'-P-C4' energy: -59.351 flat angles P-C4'-P energy: -39.011 tors. eta vs tors. theta energy: -28.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -402.064913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.064913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.064913 (E_RNA) where: Base-Base interactions energy: -155.983 where: short stacking energy: -126.504 Base-Backbone interact. energy: -0.353 local terms energy: -245.729557 where: bonds (distance) C4'-P energy: -77.304 bonds (distance) P-C4' energy: -63.119 flat angles C4'-P-C4' energy: -60.107 flat angles P-C4'-P energy: -39.884 tors. eta vs tors. theta energy: -5.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -362.885269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.885269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.885269 (E_RNA) where: Base-Base interactions energy: -135.010 where: short stacking energy: -110.670 Base-Backbone interact. energy: -3.084 local terms energy: -224.791848 where: bonds (distance) C4'-P energy: -60.056 bonds (distance) P-C4' energy: -68.064 flat angles C4'-P-C4' energy: -62.383 flat angles P-C4'-P energy: -30.040 tors. eta vs tors. theta energy: -4.249 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: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -365.225956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.225956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.225956 (E_RNA) where: Base-Base interactions energy: -154.661 where: short stacking energy: -92.676 Base-Backbone interact. energy: -2.276 local terms energy: -208.288190 where: bonds (distance) C4'-P energy: -67.412 bonds (distance) P-C4' energy: -63.778 flat angles C4'-P-C4' energy: -65.906 flat angles P-C4'-P energy: -24.293 tors. eta vs tors. theta energy: 13.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1087.015991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.015991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.015991 (E_RNA) where: Base-Base interactions energy: -685.941 where: short stacking energy: -359.840 Base-Backbone interact. energy: -1.037 local terms energy: -400.038745 where: bonds (distance) C4'-P energy: -73.926 bonds (distance) P-C4' energy: -86.529 flat angles C4'-P-C4' energy: -89.578 flat angles P-C4'-P energy: -49.849 tors. eta vs tors. theta energy: -100.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -883.615422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.615422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.615422 (E_RNA) where: Base-Base interactions energy: -542.122 where: short stacking energy: -269.879 Base-Backbone interact. energy: -0.576 local terms energy: -340.916553 where: bonds (distance) C4'-P energy: -80.592 bonds (distance) P-C4' energy: -77.956 flat angles C4'-P-C4' energy: -68.520 flat angles P-C4'-P energy: -48.505 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: 3, replica: 7 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -916.213356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.213356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.213356 (E_RNA) where: Base-Base interactions energy: -571.745 where: short stacking energy: -275.941 Base-Backbone interact. energy: -2.181 local terms energy: -342.286826 where: bonds (distance) C4'-P energy: -77.188 bonds (distance) P-C4' energy: -81.208 flat angles C4'-P-C4' energy: -67.129 flat angles P-C4'-P energy: -46.840 tors. eta vs tors. theta energy: -69.922 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: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -835.125290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.125290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.125290 (E_RNA) where: Base-Base interactions energy: -531.292 where: short stacking energy: -269.694 Base-Backbone interact. energy: 0.811 local terms energy: -304.644243 where: bonds (distance) C4'-P energy: -66.200 bonds (distance) P-C4' energy: -71.084 flat angles C4'-P-C4' energy: -70.666 flat angles P-C4'-P energy: -41.739 tors. eta vs tors. theta energy: -54.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -649.924241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.924241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.924241 (E_RNA) where: Base-Base interactions energy: -367.428 where: short stacking energy: -185.331 Base-Backbone interact. energy: 4.631 local terms energy: -287.127890 where: bonds (distance) C4'-P energy: -71.469 bonds (distance) P-C4' energy: -79.669 flat angles C4'-P-C4' energy: -68.009 flat angles P-C4'-P energy: -43.428 tors. eta vs tors. theta energy: -24.553 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: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -501.079517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.079517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.079517 (E_RNA) where: Base-Base interactions energy: -222.045 where: short stacking energy: -153.747 Base-Backbone interact. energy: -1.661 local terms energy: -277.373634 where: bonds (distance) C4'-P energy: -55.700 bonds (distance) P-C4' energy: -77.678 flat angles C4'-P-C4' energy: -66.481 flat angles P-C4'-P energy: -42.940 tors. eta vs tors. theta energy: -34.575 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: 4 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -605.541251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.541251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.541251 (E_RNA) where: Base-Base interactions energy: -329.869 where: short stacking energy: -197.086 Base-Backbone interact. energy: -1.617 local terms energy: -274.055194 where: bonds (distance) C4'-P energy: -63.232 bonds (distance) P-C4' energy: -72.509 flat angles C4'-P-C4' energy: -65.373 flat angles P-C4'-P energy: -47.328 tors. eta vs tors. theta energy: -25.614 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: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -381.564964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.564964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.564964 (E_RNA) where: Base-Base interactions energy: -156.841 where: short stacking energy: -122.595 Base-Backbone interact. energy: -1.836 local terms energy: -222.888632 where: bonds (distance) C4'-P energy: -67.765 bonds (distance) P-C4' energy: -70.850 flat angles C4'-P-C4' energy: -48.442 flat angles P-C4'-P energy: -33.252 tors. eta vs tors. theta energy: -2.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -421.263389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.263389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.263389 (E_RNA) where: Base-Base interactions energy: -212.291 where: short stacking energy: -132.800 Base-Backbone interact. energy: -0.333 local terms energy: -208.639440 where: bonds (distance) C4'-P energy: -44.184 bonds (distance) P-C4' energy: -70.810 flat angles C4'-P-C4' energy: -66.990 flat angles P-C4'-P energy: -24.862 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -418.267617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.267617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.267617 (E_RNA) where: Base-Base interactions energy: -194.357 where: short stacking energy: -118.191 Base-Backbone interact. energy: 3.400 local terms energy: -227.309785 where: bonds (distance) C4'-P energy: -71.542 bonds (distance) P-C4' energy: -64.967 flat angles C4'-P-C4' energy: -57.158 flat angles P-C4'-P energy: -35.698 tors. eta vs tors. theta energy: 2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1111.717902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.717902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.717902 (E_RNA) where: Base-Base interactions energy: -716.398 where: short stacking energy: -366.051 Base-Backbone interact. energy: -0.065 local terms energy: -395.254499 where: bonds (distance) C4'-P energy: -79.676 bonds (distance) P-C4' energy: -80.518 flat angles C4'-P-C4' energy: -80.191 flat angles P-C4'-P energy: -55.342 tors. eta vs tors. theta energy: -99.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1088.894151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.894151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.894151 (E_RNA) where: Base-Base interactions energy: -736.760 where: short stacking energy: -313.570 Base-Backbone interact. energy: -2.149 local terms energy: -349.985477 where: bonds (distance) C4'-P energy: -76.684 bonds (distance) P-C4' energy: -71.672 flat angles C4'-P-C4' energy: -75.209 flat angles P-C4'-P energy: -50.802 tors. eta vs tors. theta energy: -75.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -876.584698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.584698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.584698 (E_RNA) where: Base-Base interactions energy: -531.284 where: short stacking energy: -290.625 Base-Backbone interact. energy: -0.019 local terms energy: -345.281064 where: bonds (distance) C4'-P energy: -70.305 bonds (distance) P-C4' energy: -77.100 flat angles C4'-P-C4' energy: -67.631 flat angles P-C4'-P energy: -53.446 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: 4, replica: 3 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -859.559883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.559883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.559883 (E_RNA) where: Base-Base interactions energy: -529.508 where: short stacking energy: -257.720 Base-Backbone interact. energy: -0.617 local terms energy: -329.435019 where: bonds (distance) C4'-P energy: -64.767 bonds (distance) P-C4' energy: -73.219 flat angles C4'-P-C4' energy: -73.791 flat angles P-C4'-P energy: -52.641 tors. eta vs tors. theta energy: -65.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -691.111763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.111763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.111763 (E_RNA) where: Base-Base interactions energy: -396.724 where: short stacking energy: -223.570 Base-Backbone interact. energy: -0.922 local terms energy: -293.466089 where: bonds (distance) C4'-P energy: -69.103 bonds (distance) P-C4' energy: -85.736 flat angles C4'-P-C4' energy: -62.124 flat angles P-C4'-P energy: -34.830 tors. eta vs tors. theta energy: -41.674 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: 6, replica: 4 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -615.973898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.973898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.973898 (E_RNA) where: Base-Base interactions energy: -344.565 where: short stacking energy: -190.533 Base-Backbone interact. energy: 3.044 local terms energy: -274.452057 where: bonds (distance) C4'-P energy: -62.543 bonds (distance) P-C4' energy: -69.797 flat angles C4'-P-C4' energy: -71.750 flat angles P-C4'-P energy: -36.933 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: 7, replica: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -434.225053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.225053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.225053 (E_RNA) where: Base-Base interactions energy: -173.758 where: short stacking energy: -120.067 Base-Backbone interact. energy: -1.779 local terms energy: -258.688085 where: bonds (distance) C4'-P energy: -72.539 bonds (distance) P-C4' energy: -80.339 flat angles C4'-P-C4' energy: -51.981 flat angles P-C4'-P energy: -40.428 tors. eta vs tors. theta energy: -13.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -540.927919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.927919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.927919 (E_RNA) where: Base-Base interactions energy: -278.334 where: short stacking energy: -166.380 Base-Backbone interact. energy: 0.290 local terms energy: -262.883511 where: bonds (distance) C4'-P energy: -65.755 bonds (distance) P-C4' energy: -66.040 flat angles C4'-P-C4' energy: -61.718 flat angles P-C4'-P energy: -43.049 tors. eta vs tors. theta energy: -26.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -407.478259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.478259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.478259 (E_RNA) where: Base-Base interactions energy: -189.355 where: short stacking energy: -144.838 Base-Backbone interact. energy: -0.036 local terms energy: -218.087314 where: bonds (distance) C4'-P energy: -59.238 bonds (distance) P-C4' energy: -63.110 flat angles C4'-P-C4' energy: -57.098 flat angles P-C4'-P energy: -33.803 tors. eta vs tors. theta energy: -4.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -353.161819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.161819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.161819 (E_RNA) where: Base-Base interactions energy: -152.950 where: short stacking energy: -95.751 Base-Backbone interact. energy: -0.954 local terms energy: -199.257672 where: bonds (distance) C4'-P energy: -65.383 bonds (distance) P-C4' energy: -58.856 flat angles C4'-P-C4' energy: -57.773 flat angles P-C4'-P energy: -34.484 tors. eta vs tors. theta energy: 17.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1120.104619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.104619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.104619 (E_RNA) where: Base-Base interactions energy: -714.471 where: short stacking energy: -357.918 Base-Backbone interact. energy: -0.991 local terms energy: -404.642841 where: bonds (distance) C4'-P energy: -81.679 bonds (distance) P-C4' energy: -78.961 flat angles C4'-P-C4' energy: -91.805 flat angles P-C4'-P energy: -51.842 tors. eta vs tors. theta energy: -100.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1133.374424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.374424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.374424 (E_RNA) where: Base-Base interactions energy: -752.168 where: short stacking energy: -349.888 Base-Backbone interact. energy: -1.193 local terms energy: -380.014104 where: bonds (distance) C4'-P energy: -71.832 bonds (distance) P-C4' energy: -74.644 flat angles C4'-P-C4' energy: -79.777 flat angles P-C4'-P energy: -57.348 tors. eta vs tors. theta energy: -96.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -873.575261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.575261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.575261 (E_RNA) where: Base-Base interactions energy: -535.563 where: short stacking energy: -270.006 Base-Backbone interact. energy: -0.149 local terms energy: -337.863433 where: bonds (distance) C4'-P energy: -81.909 bonds (distance) P-C4' energy: -76.214 flat angles C4'-P-C4' energy: -72.178 flat angles P-C4'-P energy: -44.293 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: 4, replica: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -869.070332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.070332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.070332 (E_RNA) where: Base-Base interactions energy: -532.560 where: short stacking energy: -237.517 Base-Backbone interact. energy: 0.965 local terms energy: -337.475866 where: bonds (distance) C4'-P energy: -81.453 bonds (distance) P-C4' energy: -60.924 flat angles C4'-P-C4' energy: -74.520 flat angles P-C4'-P energy: -58.197 tors. eta vs tors. theta energy: -62.382 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: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -691.674324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.674324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.674324 (E_RNA) where: Base-Base interactions energy: -382.982 where: short stacking energy: -219.415 Base-Backbone interact. energy: -1.918 local terms energy: -306.774253 where: bonds (distance) C4'-P energy: -72.581 bonds (distance) P-C4' energy: -64.768 flat angles C4'-P-C4' energy: -75.761 flat angles P-C4'-P energy: -44.137 tors. eta vs tors. theta energy: -49.527 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: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -594.653159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.653159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.653159 (E_RNA) where: Base-Base interactions energy: -310.885 where: short stacking energy: -184.569 Base-Backbone interact. energy: -2.774 local terms energy: -280.994256 where: bonds (distance) C4'-P energy: -71.182 bonds (distance) P-C4' energy: -65.060 flat angles C4'-P-C4' energy: -72.166 flat angles P-C4'-P energy: -54.150 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: 7, replica: 9 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -737.578141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.578141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.578141 (E_RNA) where: Base-Base interactions energy: -453.495 where: short stacking energy: -208.525 Base-Backbone interact. energy: -3.299 local terms energy: -280.784052 where: bonds (distance) C4'-P energy: -59.918 bonds (distance) P-C4' energy: -68.584 flat angles C4'-P-C4' energy: -67.680 flat angles P-C4'-P energy: -50.647 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: 8, replica: 5 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -379.830440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.830440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.830440 (E_RNA) where: Base-Base interactions energy: -174.349 where: short stacking energy: -111.662 Base-Backbone interact. energy: 4.791 local terms energy: -210.272526 where: bonds (distance) C4'-P energy: -68.670 bonds (distance) P-C4' energy: -65.273 flat angles C4'-P-C4' energy: -50.698 flat angles P-C4'-P energy: -31.798 tors. eta vs tors. theta energy: 6.167 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: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -407.434316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.434316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.434316 (E_RNA) where: Base-Base interactions energy: -187.548 where: short stacking energy: -98.667 Base-Backbone interact. energy: -4.484 local terms energy: -215.402321 where: bonds (distance) C4'-P energy: -69.800 bonds (distance) P-C4' energy: -68.912 flat angles C4'-P-C4' energy: -50.286 flat angles P-C4'-P energy: -38.456 tors. eta vs tors. theta energy: 12.052 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: 6 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -331.885275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.885275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.885275 (E_RNA) where: Base-Base interactions energy: -117.784 where: short stacking energy: -114.038 Base-Backbone interact. energy: 1.189 local terms energy: -215.289765 where: bonds (distance) C4'-P energy: -43.359 bonds (distance) P-C4' energy: -75.985 flat angles C4'-P-C4' energy: -58.891 flat angles P-C4'-P energy: -31.478 tors. eta vs tors. theta energy: -5.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1167.611024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.611024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.611024 (E_RNA) where: Base-Base interactions energy: -778.560 where: short stacking energy: -363.969 Base-Backbone interact. energy: -1.804 local terms energy: -387.246576 where: bonds (distance) C4'-P energy: -72.574 bonds (distance) P-C4' energy: -68.112 flat angles C4'-P-C4' energy: -90.521 flat angles P-C4'-P energy: -52.981 tors. eta vs tors. theta energy: -103.060 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: 7 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1171.538151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.538151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.538151 (E_RNA) where: Base-Base interactions energy: -785.400 where: short stacking energy: -377.742 Base-Backbone interact. energy: -2.169 local terms energy: -383.968856 where: bonds (distance) C4'-P energy: -77.697 bonds (distance) P-C4' energy: -78.954 flat angles C4'-P-C4' energy: -79.080 flat angles P-C4'-P energy: -40.606 tors. eta vs tors. theta energy: -107.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -861.846939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.846939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.846939 (E_RNA) where: Base-Base interactions energy: -530.309 where: short stacking energy: -245.683 Base-Backbone interact. energy: 0.247 local terms energy: -331.784621 where: bonds (distance) C4'-P energy: -62.107 bonds (distance) P-C4' energy: -84.331 flat angles C4'-P-C4' energy: -83.742 flat angles P-C4'-P energy: -41.003 tors. eta vs tors. theta energy: -60.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -900.993211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.993211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.993211 (E_RNA) where: Base-Base interactions energy: -582.221 where: short stacking energy: -275.882 Base-Backbone interact. energy: -0.614 local terms energy: -318.158622 where: bonds (distance) C4'-P energy: -58.581 bonds (distance) P-C4' energy: -69.418 flat angles C4'-P-C4' energy: -81.553 flat angles P-C4'-P energy: -43.235 tors. eta vs tors. theta energy: -65.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -758.239438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.239438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.239438 (E_RNA) where: Base-Base interactions energy: -437.062 where: short stacking energy: -246.637 Base-Backbone interact. energy: -1.803 local terms energy: -319.374281 where: bonds (distance) C4'-P energy: -72.391 bonds (distance) P-C4' energy: -71.320 flat angles C4'-P-C4' energy: -69.256 flat angles P-C4'-P energy: -51.148 tors. eta vs tors. theta energy: -55.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -840.132906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.132906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.132906 (E_RNA) where: Base-Base interactions energy: -553.207 where: short stacking energy: -224.923 Base-Backbone interact. energy: -1.798 local terms energy: -285.127972 where: bonds (distance) C4'-P energy: -61.284 bonds (distance) P-C4' energy: -72.275 flat angles C4'-P-C4' energy: -72.431 flat angles P-C4'-P energy: -49.010 tors. eta vs tors. theta energy: -30.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -577.953514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.953514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.953514 (E_RNA) where: Base-Base interactions energy: -306.358 where: short stacking energy: -170.665 Base-Backbone interact. energy: 0.223 local terms energy: -271.818444 where: bonds (distance) C4'-P energy: -66.933 bonds (distance) P-C4' energy: -68.293 flat angles C4'-P-C4' energy: -67.560 flat angles P-C4'-P energy: -39.263 tors. eta vs tors. theta energy: -29.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -443.022576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.022576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.022576 (E_RNA) where: Base-Base interactions energy: -227.195 where: short stacking energy: -141.554 Base-Backbone interact. energy: -0.812 local terms energy: -215.015888 where: bonds (distance) C4'-P energy: -56.754 bonds (distance) P-C4' energy: -73.709 flat angles C4'-P-C4' energy: -56.496 flat angles P-C4'-P energy: -18.904 tors. eta vs tors. theta energy: -9.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -385.464409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.464409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.464409 (E_RNA) where: Base-Base interactions energy: -155.892 where: short stacking energy: -117.659 Base-Backbone interact. energy: 1.494 local terms energy: -231.066697 where: bonds (distance) C4'-P energy: -70.334 bonds (distance) P-C4' energy: -73.033 flat angles C4'-P-C4' energy: -69.764 flat angles P-C4'-P energy: -28.625 tors. eta vs tors. theta energy: 10.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -322.692052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.692052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.692052 (E_RNA) where: Base-Base interactions energy: -120.353 where: short stacking energy: -96.338 Base-Backbone interact. energy: -2.378 local terms energy: -199.961214 where: bonds (distance) C4'-P energy: -48.125 bonds (distance) P-C4' energy: -75.816 flat angles C4'-P-C4' energy: -45.971 flat angles P-C4'-P energy: -41.113 tors. eta vs tors. theta energy: 11.064 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: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1186.063964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.063964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.063964 (E_RNA) where: Base-Base interactions energy: -780.860 where: short stacking energy: -361.967 Base-Backbone interact. energy: 0.764 local terms energy: -405.968369 where: bonds (distance) C4'-P energy: -82.973 bonds (distance) P-C4' energy: -74.724 flat angles C4'-P-C4' energy: -87.540 flat angles P-C4'-P energy: -62.935 tors. eta vs tors. theta energy: -97.797 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: 2, replica: 7 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1168.853540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.853540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.853540 (E_RNA) where: Base-Base interactions energy: -790.620 where: short stacking energy: -357.280 Base-Backbone interact. energy: -0.177 local terms energy: -378.056566 where: bonds (distance) C4'-P energy: -71.634 bonds (distance) P-C4' energy: -72.142 flat angles C4'-P-C4' energy: -83.393 flat angles P-C4'-P energy: -55.126 tors. eta vs tors. theta energy: -95.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -981.690937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.690937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.690937 (E_RNA) where: Base-Base interactions energy: -628.155 where: short stacking energy: -287.946 Base-Backbone interact. energy: 0.117 local terms energy: -353.652755 where: bonds (distance) C4'-P energy: -69.329 bonds (distance) P-C4' energy: -72.567 flat angles C4'-P-C4' energy: -84.677 flat angles P-C4'-P energy: -52.367 tors. eta vs tors. theta energy: -74.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -860.384257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.384257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.384257 (E_RNA) where: Base-Base interactions energy: -504.438 where: short stacking energy: -275.979 Base-Backbone interact. energy: -1.039 local terms energy: -354.907711 where: bonds (distance) C4'-P energy: -69.465 bonds (distance) P-C4' energy: -86.041 flat angles C4'-P-C4' energy: -68.381 flat angles P-C4'-P energy: -52.713 tors. eta vs tors. theta energy: -78.307 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: 9 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -902.367888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.367888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.367888 (E_RNA) where: Base-Base interactions energy: -593.735 where: short stacking energy: -264.075 Base-Backbone interact. energy: -0.732 local terms energy: -307.901390 where: bonds (distance) C4'-P energy: -64.672 bonds (distance) P-C4' energy: -61.034 flat angles C4'-P-C4' energy: -79.717 flat angles P-C4'-P energy: -39.946 tors. eta vs tors. theta energy: -62.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -784.237368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.237368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.237368 (E_RNA) where: Base-Base interactions energy: -496.261 where: short stacking energy: -213.961 Base-Backbone interact. energy: -1.586 local terms energy: -286.390566 where: bonds (distance) C4'-P energy: -68.873 bonds (distance) P-C4' energy: -78.012 flat angles C4'-P-C4' energy: -64.070 flat angles P-C4'-P energy: -34.967 tors. eta vs tors. theta energy: -40.468 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: 4 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -599.195411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.195411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.195411 (E_RNA) where: Base-Base interactions energy: -316.443 where: short stacking energy: -176.927 Base-Backbone interact. energy: -2.746 local terms energy: -280.006526 where: bonds (distance) C4'-P energy: -74.015 bonds (distance) P-C4' energy: -60.449 flat angles C4'-P-C4' energy: -68.309 flat angles P-C4'-P energy: -39.479 tors. eta vs tors. theta energy: -37.754 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: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -438.592618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.592618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.592618 (E_RNA) where: Base-Base interactions energy: -211.989 where: short stacking energy: -141.464 Base-Backbone interact. energy: 4.438 local terms energy: -231.041547 where: bonds (distance) C4'-P energy: -63.679 bonds (distance) P-C4' energy: -65.821 flat angles C4'-P-C4' energy: -53.396 flat angles P-C4'-P energy: -36.856 tors. eta vs tors. theta energy: -11.290 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: 9, replica: 5 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -390.666816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.666816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.666816 (E_RNA) where: Base-Base interactions energy: -171.448 where: short stacking energy: -133.896 Base-Backbone interact. energy: -0.103 local terms energy: -219.115337 where: bonds (distance) C4'-P energy: -57.087 bonds (distance) P-C4' energy: -61.793 flat angles C4'-P-C4' energy: -57.541 flat angles P-C4'-P energy: -38.020 tors. eta vs tors. theta energy: -4.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -342.156707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.156707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.156707 (E_RNA) where: Base-Base interactions energy: -127.316 where: short stacking energy: -74.341 Base-Backbone interact. energy: 5.343 local terms energy: -220.183841 where: bonds (distance) C4'-P energy: -69.231 bonds (distance) P-C4' energy: -60.526 flat angles C4'-P-C4' energy: -63.039 flat angles P-C4'-P energy: -39.345 tors. eta vs tors. theta energy: 11.957 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: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1159.881118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.881118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.881118 (E_RNA) where: Base-Base interactions energy: -752.886 where: short stacking energy: -368.319 Base-Backbone interact. energy: -1.108 local terms energy: -405.886821 where: bonds (distance) C4'-P energy: -70.672 bonds (distance) P-C4' energy: -75.156 flat angles C4'-P-C4' energy: -92.275 flat angles P-C4'-P energy: -54.781 tors. eta vs tors. theta energy: -113.002 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: 7 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1198.594428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.594428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.594428 (E_RNA) where: Base-Base interactions energy: -798.507 where: short stacking energy: -381.527 Base-Backbone interact. energy: -2.367 local terms energy: -397.719671 where: bonds (distance) C4'-P energy: -73.435 bonds (distance) P-C4' energy: -81.191 flat angles C4'-P-C4' energy: -81.143 flat angles P-C4'-P energy: -56.432 tors. eta vs tors. theta energy: -105.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1023.905039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.905039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.905039 (E_RNA) where: Base-Base interactions energy: -665.510 where: short stacking energy: -318.601 Base-Backbone interact. energy: -1.501 local terms energy: -356.894698 where: bonds (distance) C4'-P energy: -69.123 bonds (distance) P-C4' energy: -77.664 flat angles C4'-P-C4' energy: -74.709 flat angles P-C4'-P energy: -46.778 tors. eta vs tors. theta energy: -88.622 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: 9 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1021.365989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.365989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.365989 (E_RNA) where: Base-Base interactions energy: -656.769 where: short stacking energy: -308.064 Base-Backbone interact. energy: -0.116 local terms energy: -364.481362 where: bonds (distance) C4'-P energy: -72.891 bonds (distance) P-C4' energy: -76.496 flat angles C4'-P-C4' energy: -81.995 flat angles P-C4'-P energy: -57.497 tors. eta vs tors. theta energy: -75.602 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: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -852.261937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.261937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.261937 (E_RNA) where: Base-Base interactions energy: -533.120 where: short stacking energy: -268.957 Base-Backbone interact. energy: -1.041 local terms energy: -318.100752 where: bonds (distance) C4'-P energy: -50.729 bonds (distance) P-C4' energy: -76.880 flat angles C4'-P-C4' energy: -85.681 flat angles P-C4'-P energy: -46.242 tors. eta vs tors. theta energy: -58.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -803.215014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.215014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.215014 (E_RNA) where: Base-Base interactions energy: -507.153 where: short stacking energy: -232.501 Base-Backbone interact. energy: -1.981 local terms energy: -294.081097 where: bonds (distance) C4'-P energy: -55.303 bonds (distance) P-C4' energy: -79.947 flat angles C4'-P-C4' energy: -66.296 flat angles P-C4'-P energy: -49.101 tors. eta vs tors. theta energy: -43.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -573.238049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.238049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.238049 (E_RNA) where: Base-Base interactions energy: -298.342 where: short stacking energy: -149.773 Base-Backbone interact. energy: -1.220 local terms energy: -273.676264 where: bonds (distance) C4'-P energy: -61.270 bonds (distance) P-C4' energy: -80.573 flat angles C4'-P-C4' energy: -68.670 flat angles P-C4'-P energy: -41.064 tors. eta vs tors. theta energy: -22.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -448.313957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.313957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.313957 (E_RNA) where: Base-Base interactions energy: -190.209 where: short stacking energy: -142.350 Base-Backbone interact. energy: 4.017 local terms energy: -262.122038 where: bonds (distance) C4'-P energy: -69.105 bonds (distance) P-C4' energy: -74.911 flat angles C4'-P-C4' energy: -64.899 flat angles P-C4'-P energy: -43.525 tors. eta vs tors. theta energy: -9.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -460.175148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.175148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.175148 (E_RNA) where: Base-Base interactions energy: -230.319 where: short stacking energy: -145.444 Base-Backbone interact. energy: 2.107 local terms energy: -231.962926 where: bonds (distance) C4'-P energy: -58.289 bonds (distance) P-C4' energy: -71.381 flat angles C4'-P-C4' energy: -56.511 flat angles P-C4'-P energy: -41.567 tors. eta vs tors. theta energy: -4.216 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: 6 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -320.776449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.776449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.776449 (E_RNA) where: Base-Base interactions energy: -116.274 where: short stacking energy: -71.101 Base-Backbone interact. energy: -0.333 local terms energy: -204.169069 where: bonds (distance) C4'-P energy: -68.300 bonds (distance) P-C4' energy: -65.595 flat angles C4'-P-C4' energy: -56.763 flat angles P-C4'-P energy: -22.941 tors. eta vs tors. theta energy: 9.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1253.937282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.937282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.937282 (E_RNA) where: Base-Base interactions energy: -846.202 where: short stacking energy: -378.828 Base-Backbone interact. energy: -1.416 local terms energy: -406.318559 where: bonds (distance) C4'-P energy: -72.545 bonds (distance) P-C4' energy: -87.557 flat angles C4'-P-C4' energy: -72.455 flat angles P-C4'-P energy: -61.986 tors. eta vs tors. theta energy: -111.776 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: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1162.514619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.514619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.514619 (E_RNA) where: Base-Base interactions energy: -766.657 where: short stacking energy: -351.920 Base-Backbone interact. energy: -0.224 local terms energy: -395.633616 where: bonds (distance) C4'-P energy: -81.309 bonds (distance) P-C4' energy: -77.750 flat angles C4'-P-C4' energy: -83.399 flat angles P-C4'-P energy: -55.497 tors. eta vs tors. theta energy: -97.678 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: 3 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1027.367550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.367550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.367550 (E_RNA) where: Base-Base interactions energy: -661.309 where: short stacking energy: -316.109 Base-Backbone interact. energy: -0.951 local terms energy: -365.107877 where: bonds (distance) C4'-P energy: -67.225 bonds (distance) P-C4' energy: -77.370 flat angles C4'-P-C4' energy: -84.543 flat angles P-C4'-P energy: -53.880 tors. eta vs tors. theta energy: -82.090 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: 9 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1066.366086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.366086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.366086 (E_RNA) where: Base-Base interactions energy: -707.329 where: short stacking energy: -324.812 Base-Backbone interact. energy: -0.172 local terms energy: -358.864885 where: bonds (distance) C4'-P energy: -70.936 bonds (distance) P-C4' energy: -63.440 flat angles C4'-P-C4' energy: -75.850 flat angles P-C4'-P energy: -57.655 tors. eta vs tors. theta energy: -90.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -846.019451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.019451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.019451 (E_RNA) where: Base-Base interactions energy: -545.012 where: short stacking energy: -256.267 Base-Backbone interact. energy: 0.455 local terms energy: -301.462399 where: bonds (distance) C4'-P energy: -64.794 bonds (distance) P-C4' energy: -71.689 flat angles C4'-P-C4' energy: -59.850 flat angles P-C4'-P energy: -51.709 tors. eta vs tors. theta energy: -53.420 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: 1 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -759.861145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.861145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.861145 (E_RNA) where: Base-Base interactions energy: -464.929 where: short stacking energy: -237.250 Base-Backbone interact. energy: -0.574 local terms energy: -294.358860 where: bonds (distance) C4'-P energy: -71.419 bonds (distance) P-C4' energy: -71.004 flat angles C4'-P-C4' energy: -61.361 flat angles P-C4'-P energy: -40.600 tors. eta vs tors. theta energy: -49.975 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: 5 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -498.309039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.309039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.309039 (E_RNA) where: Base-Base interactions energy: -220.705 where: short stacking energy: -152.936 Base-Backbone interact. energy: -0.613 local terms energy: -276.990589 where: bonds (distance) C4'-P energy: -73.413 bonds (distance) P-C4' energy: -72.689 flat angles C4'-P-C4' energy: -63.831 flat angles P-C4'-P energy: -40.566 tors. eta vs tors. theta energy: -26.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -540.185773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.185773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.185773 (E_RNA) where: Base-Base interactions energy: -284.273 where: short stacking energy: -178.248 Base-Backbone interact. energy: -0.962 local terms energy: -254.950766 where: bonds (distance) C4'-P energy: -69.259 bonds (distance) P-C4' energy: -66.128 flat angles C4'-P-C4' energy: -53.348 flat angles P-C4'-P energy: -25.338 tors. eta vs tors. theta energy: -40.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -446.420814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.420814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.420814 (E_RNA) where: Base-Base interactions energy: -224.771 where: short stacking energy: -141.232 Base-Backbone interact. energy: 1.876 local terms energy: -223.525220 where: bonds (distance) C4'-P energy: -66.583 bonds (distance) P-C4' energy: -70.469 flat angles C4'-P-C4' energy: -64.575 flat angles P-C4'-P energy: -12.299 tors. eta vs tors. theta energy: -9.599 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: 6 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -319.568373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.568373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.568373 (E_RNA) where: Base-Base interactions energy: -125.456 where: short stacking energy: -109.490 Base-Backbone interact. energy: 4.597 local terms energy: -198.709393 where: bonds (distance) C4'-P energy: -60.690 bonds (distance) P-C4' energy: -69.908 flat angles C4'-P-C4' energy: -53.149 flat angles P-C4'-P energy: -25.345 tors. eta vs tors. theta energy: 10.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1270.311180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.311180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.311180 (E_RNA) where: Base-Base interactions energy: -847.180 where: short stacking energy: -402.378 Base-Backbone interact. energy: -0.759 local terms energy: -422.372644 where: bonds (distance) C4'-P energy: -75.298 bonds (distance) P-C4' energy: -75.770 flat angles C4'-P-C4' energy: -86.276 flat angles P-C4'-P energy: -60.004 tors. eta vs tors. theta energy: -125.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1134.119641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.119641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.119641 (E_RNA) where: Base-Base interactions energy: -734.684 where: short stacking energy: -371.572 Base-Backbone interact. energy: -0.993 local terms energy: -398.441974 where: bonds (distance) C4'-P energy: -75.539 bonds (distance) P-C4' energy: -81.017 flat angles C4'-P-C4' energy: -77.785 flat angles P-C4'-P energy: -53.238 tors. eta vs tors. theta energy: -110.863 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: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -980.079975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.079975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.079975 (E_RNA) where: Base-Base interactions energy: -629.242 where: short stacking energy: -301.385 Base-Backbone interact. energy: -1.011 local terms energy: -349.827197 where: bonds (distance) C4'-P energy: -79.692 bonds (distance) P-C4' energy: -63.613 flat angles C4'-P-C4' energy: -83.615 flat angles P-C4'-P energy: -46.349 tors. eta vs tors. theta energy: -76.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1092.906853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.906853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.906853 (E_RNA) where: Base-Base interactions energy: -722.552 where: short stacking energy: -319.640 Base-Backbone interact. energy: -1.890 local terms energy: -368.465450 where: bonds (distance) C4'-P energy: -73.917 bonds (distance) P-C4' energy: -74.540 flat angles C4'-P-C4' energy: -79.512 flat angles P-C4'-P energy: -56.780 tors. eta vs tors. theta energy: -83.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -832.755425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.755425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.755425 (E_RNA) where: Base-Base interactions energy: -542.781 where: short stacking energy: -272.023 Base-Backbone interact. energy: 0.122 local terms energy: -290.096724 where: bonds (distance) C4'-P energy: -52.058 bonds (distance) P-C4' energy: -70.785 flat angles C4'-P-C4' energy: -71.908 flat angles P-C4'-P energy: -41.280 tors. eta vs tors. theta energy: -54.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -829.308538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.308538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.308538 (E_RNA) where: Base-Base interactions energy: -528.387 where: short stacking energy: -246.652 Base-Backbone interact. energy: -2.265 local terms energy: -298.657180 where: bonds (distance) C4'-P energy: -70.822 bonds (distance) P-C4' energy: -69.813 flat angles C4'-P-C4' energy: -72.613 flat angles P-C4'-P energy: -31.099 tors. eta vs tors. theta energy: -54.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -486.992533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.992533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.992533 (E_RNA) where: Base-Base interactions energy: -229.730 where: short stacking energy: -137.827 Base-Backbone interact. energy: -1.660 local terms energy: -255.602151 where: bonds (distance) C4'-P energy: -61.762 bonds (distance) P-C4' energy: -74.242 flat angles C4'-P-C4' energy: -57.609 flat angles P-C4'-P energy: -43.937 tors. eta vs tors. theta energy: -18.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -487.036794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.036794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.036794 (E_RNA) where: Base-Base interactions energy: -239.452 where: short stacking energy: -145.768 Base-Backbone interact. energy: -0.855 local terms energy: -246.730018 where: bonds (distance) C4'-P energy: -63.654 bonds (distance) P-C4' energy: -79.180 flat angles C4'-P-C4' energy: -56.709 flat angles P-C4'-P energy: -38.903 tors. eta vs tors. theta energy: -8.284 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: 4 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -438.137011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.137011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.137011 (E_RNA) where: Base-Base interactions energy: -210.366 where: short stacking energy: -130.115 Base-Backbone interact. energy: 5.014 local terms energy: -232.785390 where: bonds (distance) C4'-P energy: -54.833 bonds (distance) P-C4' energy: -73.223 flat angles C4'-P-C4' energy: -59.537 flat angles P-C4'-P energy: -34.752 tors. eta vs tors. theta energy: -10.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -330.225723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.225723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.225723 (E_RNA) where: Base-Base interactions energy: -127.209 where: short stacking energy: -91.970 Base-Backbone interact. energy: -0.019 local terms energy: -202.998135 where: bonds (distance) C4'-P energy: -55.985 bonds (distance) P-C4' energy: -69.377 flat angles C4'-P-C4' energy: -60.987 flat angles P-C4'-P energy: -32.752 tors. eta vs tors. theta energy: 16.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1273.947960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.947960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.947960 (E_RNA) where: Base-Base interactions energy: -869.578 where: short stacking energy: -393.089 Base-Backbone interact. energy: -2.487 local terms energy: -401.882249 where: bonds (distance) C4'-P energy: -75.740 bonds (distance) P-C4' energy: -73.060 flat angles C4'-P-C4' energy: -85.104 flat angles P-C4'-P energy: -46.823 tors. eta vs tors. theta energy: -121.156 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: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1157.307364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.307364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.307364 (E_RNA) where: Base-Base interactions energy: -754.248 where: short stacking energy: -370.619 Base-Backbone interact. energy: 1.160 local terms energy: -404.218617 where: bonds (distance) C4'-P energy: -77.041 bonds (distance) P-C4' energy: -79.230 flat angles C4'-P-C4' energy: -84.077 flat angles P-C4'-P energy: -56.087 tors. eta vs tors. theta energy: -107.784 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: 9 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1145.573335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.573335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.573335 (E_RNA) where: Base-Base interactions energy: -780.838 where: short stacking energy: -325.775 Base-Backbone interact. energy: 1.091 local terms energy: -365.827161 where: bonds (distance) C4'-P energy: -73.002 bonds (distance) P-C4' energy: -78.422 flat angles C4'-P-C4' energy: -78.958 flat angles P-C4'-P energy: -53.086 tors. eta vs tors. theta energy: -82.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -951.073015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.073015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.073015 (E_RNA) where: Base-Base interactions energy: -603.710 where: short stacking energy: -276.382 Base-Backbone interact. energy: -0.941 local terms energy: -346.422615 where: bonds (distance) C4'-P energy: -71.893 bonds (distance) P-C4' energy: -78.135 flat angles C4'-P-C4' energy: -71.861 flat angles P-C4'-P energy: -54.524 tors. eta vs tors. theta energy: -70.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -815.148610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.148610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.148610 (E_RNA) where: Base-Base interactions energy: -498.442 where: short stacking energy: -232.528 Base-Backbone interact. energy: 0.091 local terms energy: -316.798060 where: bonds (distance) C4'-P energy: -78.338 bonds (distance) P-C4' energy: -81.515 flat angles C4'-P-C4' energy: -61.368 flat angles P-C4'-P energy: -50.009 tors. eta vs tors. theta energy: -45.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -832.386853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.386853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.386853 (E_RNA) where: Base-Base interactions energy: -512.059 where: short stacking energy: -230.981 Base-Backbone interact. energy: -2.380 local terms energy: -317.947974 where: bonds (distance) C4'-P energy: -71.910 bonds (distance) P-C4' energy: -79.281 flat angles C4'-P-C4' energy: -73.686 flat angles P-C4'-P energy: -48.131 tors. eta vs tors. theta energy: -44.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -545.167492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.167492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.167492 (E_RNA) where: Base-Base interactions energy: -276.893 where: short stacking energy: -153.816 Base-Backbone interact. energy: -0.077 local terms energy: -268.196800 where: bonds (distance) C4'-P energy: -52.871 bonds (distance) P-C4' energy: -73.673 flat angles C4'-P-C4' energy: -75.649 flat angles P-C4'-P energy: -42.757 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: 8, replica: 5 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -420.092466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.092466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.092466 (E_RNA) where: Base-Base interactions energy: -195.915 where: short stacking energy: -134.835 Base-Backbone interact. energy: 0.322 local terms energy: -224.499272 where: bonds (distance) C4'-P energy: -65.068 bonds (distance) P-C4' energy: -63.529 flat angles C4'-P-C4' energy: -59.679 flat angles P-C4'-P energy: -33.893 tors. eta vs tors. theta energy: -2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -443.569928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.569928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.569928 (E_RNA) where: Base-Base interactions energy: -221.966 where: short stacking energy: -143.071 Base-Backbone interact. energy: 2.277 local terms energy: -223.881365 where: bonds (distance) C4'-P energy: -59.961 bonds (distance) P-C4' energy: -68.931 flat angles C4'-P-C4' energy: -65.804 flat angles P-C4'-P energy: -16.210 tors. eta vs tors. theta energy: -12.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -314.232424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.232424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.232424 (E_RNA) where: Base-Base interactions energy: -111.149 where: short stacking energy: -84.986 Base-Backbone interact. energy: 2.425 local terms energy: -205.508484 where: bonds (distance) C4'-P energy: -51.841 bonds (distance) P-C4' energy: -72.495 flat angles C4'-P-C4' energy: -64.095 flat angles P-C4'-P energy: -31.522 tors. eta vs tors. theta energy: 14.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1289.092440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.092440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.092440 (E_RNA) where: Base-Base interactions energy: -884.525 where: short stacking energy: -392.019 Base-Backbone interact. energy: -1.998 local terms energy: -402.569318 where: bonds (distance) C4'-P energy: -80.335 bonds (distance) P-C4' energy: -71.550 flat angles C4'-P-C4' energy: -80.604 flat angles P-C4'-P energy: -59.689 tors. eta vs tors. theta energy: -110.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1199.517303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.517303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.517303 (E_RNA) where: Base-Base interactions energy: -811.582 where: short stacking energy: -350.268 Base-Backbone interact. energy: -1.983 local terms energy: -385.952028 where: bonds (distance) C4'-P energy: -89.803 bonds (distance) P-C4' energy: -70.871 flat angles C4'-P-C4' energy: -78.314 flat angles P-C4'-P energy: -55.810 tors. eta vs tors. theta energy: -91.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1079.323622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.323622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.323622 (E_RNA) where: Base-Base interactions energy: -714.998 where: short stacking energy: -340.157 Base-Backbone interact. energy: -1.171 local terms energy: -363.154232 where: bonds (distance) C4'-P energy: -68.276 bonds (distance) P-C4' energy: -64.131 flat angles C4'-P-C4' energy: -82.094 flat angles P-C4'-P energy: -55.986 tors. eta vs tors. theta energy: -92.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -949.157229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.157229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.157229 (E_RNA) where: Base-Base interactions energy: -587.672 where: short stacking energy: -292.813 Base-Backbone interact. energy: -2.193 local terms energy: -359.292086 where: bonds (distance) C4'-P energy: -83.496 bonds (distance) P-C4' energy: -80.317 flat angles C4'-P-C4' energy: -76.575 flat angles P-C4'-P energy: -52.023 tors. eta vs tors. theta energy: -66.881 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: 8 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -859.669532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.669532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.669532 (E_RNA) where: Base-Base interactions energy: -562.207 where: short stacking energy: -266.025 Base-Backbone interact. energy: -2.472 local terms energy: -294.990336 where: bonds (distance) C4'-P energy: -66.390 bonds (distance) P-C4' energy: -71.809 flat angles C4'-P-C4' energy: -67.687 flat angles P-C4'-P energy: -39.315 tors. eta vs tors. theta energy: -49.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -931.541953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.541953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.541953 (E_RNA) where: Base-Base interactions energy: -597.641 where: short stacking energy: -293.063 Base-Backbone interact. energy: -1.395 local terms energy: -332.505881 where: bonds (distance) C4'-P energy: -70.302 bonds (distance) P-C4' energy: -63.024 flat angles C4'-P-C4' energy: -67.183 flat angles P-C4'-P energy: -48.071 tors. eta vs tors. theta energy: -83.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -601.869113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.869113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.869113 (E_RNA) where: Base-Base interactions energy: -326.327 where: short stacking energy: -196.037 Base-Backbone interact. energy: 1.558 local terms energy: -277.099874 where: bonds (distance) C4'-P energy: -61.478 bonds (distance) P-C4' energy: -66.368 flat angles C4'-P-C4' energy: -74.151 flat angles P-C4'-P energy: -41.197 tors. eta vs tors. theta energy: -33.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -466.723720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.723720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.723720 (E_RNA) where: Base-Base interactions energy: -235.875 where: short stacking energy: -138.321 Base-Backbone interact. energy: 0.235 local terms energy: -231.083972 where: bonds (distance) C4'-P energy: -59.836 bonds (distance) P-C4' energy: -66.658 flat angles C4'-P-C4' energy: -61.605 flat angles P-C4'-P energy: -34.547 tors. eta vs tors. theta energy: -8.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -372.586264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.586264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.586264 (E_RNA) where: Base-Base interactions energy: -157.989 where: short stacking energy: -116.467 Base-Backbone interact. energy: 0.819 local terms energy: -215.416267 where: bonds (distance) C4'-P energy: -58.921 bonds (distance) P-C4' energy: -58.586 flat angles C4'-P-C4' energy: -66.895 flat angles P-C4'-P energy: -22.359 tors. eta vs tors. theta energy: -8.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -334.424726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.424726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.424726 (E_RNA) where: Base-Base interactions energy: -94.885 where: short stacking energy: -94.286 Base-Backbone interact. energy: -0.973 local terms energy: -238.565758 where: bonds (distance) C4'-P energy: -66.740 bonds (distance) P-C4' energy: -74.100 flat angles C4'-P-C4' energy: -62.306 flat angles P-C4'-P energy: -34.647 tors. eta vs tors. theta energy: -0.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1334.910200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.910200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.910200 (E_RNA) where: Base-Base interactions energy: -916.834 where: short stacking energy: -396.691 Base-Backbone interact. energy: -1.341 local terms energy: -416.734808 where: bonds (distance) C4'-P energy: -86.325 bonds (distance) P-C4' energy: -72.712 flat angles C4'-P-C4' energy: -84.013 flat angles P-C4'-P energy: -56.245 tors. eta vs tors. theta energy: -117.440 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: 9 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1211.819631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.819631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.819631 (E_RNA) where: Base-Base interactions energy: -808.344 where: short stacking energy: -364.289 Base-Backbone interact. energy: -1.482 local terms energy: -401.993514 where: bonds (distance) C4'-P energy: -89.115 bonds (distance) P-C4' energy: -79.184 flat angles C4'-P-C4' energy: -83.998 flat angles P-C4'-P energy: -44.120 tors. eta vs tors. theta energy: -105.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1116.237359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.237359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.237359 (E_RNA) where: Base-Base interactions energy: -718.387 where: short stacking energy: -349.582 Base-Backbone interact. energy: -3.127 local terms energy: -394.723261 where: bonds (distance) C4'-P energy: -77.502 bonds (distance) P-C4' energy: -73.375 flat angles C4'-P-C4' energy: -87.353 flat angles P-C4'-P energy: -57.786 tors. eta vs tors. theta energy: -98.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -928.440741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.440741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.440741 (E_RNA) where: Base-Base interactions energy: -591.013 where: short stacking energy: -268.358 Base-Backbone interact. energy: -1.482 local terms energy: -335.945299 where: bonds (distance) C4'-P energy: -69.294 bonds (distance) P-C4' energy: -75.138 flat angles C4'-P-C4' energy: -68.348 flat angles P-C4'-P energy: -53.733 tors. eta vs tors. theta energy: -69.432 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: 1 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -966.143969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.143969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.143969 (E_RNA) where: Base-Base interactions energy: -614.128 where: short stacking energy: -305.593 Base-Backbone interact. energy: -0.315 local terms energy: -351.701101 where: bonds (distance) C4'-P energy: -68.633 bonds (distance) P-C4' energy: -70.156 flat angles C4'-P-C4' energy: -76.659 flat angles P-C4'-P energy: -52.820 tors. eta vs tors. theta energy: -83.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -796.957711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.957711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.957711 (E_RNA) where: Base-Base interactions energy: -501.945 where: short stacking energy: -210.310 Base-Backbone interact. energy: -2.928 local terms energy: -292.085084 where: bonds (distance) C4'-P energy: -70.600 bonds (distance) P-C4' energy: -74.698 flat angles C4'-P-C4' energy: -68.907 flat angles P-C4'-P energy: -42.074 tors. eta vs tors. theta energy: -35.806 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: 10 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -587.645959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.645959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.645959 (E_RNA) where: Base-Base interactions energy: -335.236 where: short stacking energy: -159.864 Base-Backbone interact. energy: -1.323 local terms energy: -251.087023 where: bonds (distance) C4'-P energy: -67.125 bonds (distance) P-C4' energy: -64.195 flat angles C4'-P-C4' energy: -57.433 flat angles P-C4'-P energy: -44.115 tors. eta vs tors. theta energy: -18.219 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: 5 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -450.576355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.576355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.576355 (E_RNA) where: Base-Base interactions energy: -196.830 where: short stacking energy: -138.850 Base-Backbone interact. energy: -1.381 local terms energy: -252.365487 where: bonds (distance) C4'-P energy: -59.886 bonds (distance) P-C4' energy: -75.273 flat angles C4'-P-C4' energy: -53.342 flat angles P-C4'-P energy: -48.590 tors. eta vs tors. theta energy: -15.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -351.547552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.547552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.547552 (E_RNA) where: Base-Base interactions energy: -143.300 where: short stacking energy: -94.155 Base-Backbone interact. energy: -1.047 local terms energy: -207.200257 where: bonds (distance) C4'-P energy: -60.811 bonds (distance) P-C4' energy: -77.004 flat angles C4'-P-C4' energy: -48.672 flat angles P-C4'-P energy: -22.476 tors. eta vs tors. theta energy: 1.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -349.988151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.988151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.988151 (E_RNA) where: Base-Base interactions energy: -135.226 where: short stacking energy: -109.561 Base-Backbone interact. energy: 2.813 local terms energy: -217.575391 where: bonds (distance) C4'-P energy: -56.030 bonds (distance) P-C4' energy: -74.767 flat angles C4'-P-C4' energy: -59.756 flat angles P-C4'-P energy: -30.842 tors. eta vs tors. theta energy: 3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1343.017254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.017254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.017254 (E_RNA) where: Base-Base interactions energy: -906.390 where: short stacking energy: -424.404 Base-Backbone interact. energy: -0.838 local terms energy: -435.789584 where: bonds (distance) C4'-P energy: -83.863 bonds (distance) P-C4' energy: -82.921 flat angles C4'-P-C4' energy: -92.011 flat angles P-C4'-P energy: -60.488 tors. eta vs tors. theta energy: -116.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1199.683977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.683977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.683977 (E_RNA) where: Base-Base interactions energy: -804.919 where: short stacking energy: -355.058 Base-Backbone interact. energy: -1.349 local terms energy: -393.415875 where: bonds (distance) C4'-P energy: -78.359 bonds (distance) P-C4' energy: -74.471 flat angles C4'-P-C4' energy: -85.096 flat angles P-C4'-P energy: -53.849 tors. eta vs tors. theta energy: -101.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1113.878524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.878524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.878524 (E_RNA) where: Base-Base interactions energy: -724.437 where: short stacking energy: -349.790 Base-Backbone interact. energy: -1.848 local terms energy: -387.593531 where: bonds (distance) C4'-P energy: -76.952 bonds (distance) P-C4' energy: -66.170 flat angles C4'-P-C4' energy: -84.774 flat angles P-C4'-P energy: -53.616 tors. eta vs tors. theta energy: -106.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1002.837377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.837377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.837377 (E_RNA) where: Base-Base interactions energy: -629.764 where: short stacking energy: -316.442 Base-Backbone interact. energy: -1.050 local terms energy: -372.023539 where: bonds (distance) C4'-P energy: -66.480 bonds (distance) P-C4' energy: -75.439 flat angles C4'-P-C4' energy: -83.382 flat angles P-C4'-P energy: -55.708 tors. eta vs tors. theta energy: -91.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -890.196218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.196218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.196218 (E_RNA) where: Base-Base interactions energy: -557.016 where: short stacking energy: -266.029 Base-Backbone interact. energy: -0.063 local terms energy: -333.116725 where: bonds (distance) C4'-P energy: -74.952 bonds (distance) P-C4' energy: -70.254 flat angles C4'-P-C4' energy: -78.000 flat angles P-C4'-P energy: -45.952 tors. eta vs tors. theta energy: -63.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -814.335370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.335370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.335370 (E_RNA) where: Base-Base interactions energy: -509.134 where: short stacking energy: -239.418 Base-Backbone interact. energy: -0.086 local terms energy: -305.114614 where: bonds (distance) C4'-P energy: -72.790 bonds (distance) P-C4' energy: -74.061 flat angles C4'-P-C4' energy: -62.294 flat angles P-C4'-P energy: -53.644 tors. eta vs tors. theta energy: -42.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -607.372703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.372703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.372703 (E_RNA) where: Base-Base interactions energy: -339.175 where: short stacking energy: -176.285 Base-Backbone interact. energy: 1.165 local terms energy: -269.362734 where: bonds (distance) C4'-P energy: -71.116 bonds (distance) P-C4' energy: -61.407 flat angles C4'-P-C4' energy: -68.264 flat angles P-C4'-P energy: -48.065 tors. eta vs tors. theta energy: -20.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -489.555767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.555767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.555767 (E_RNA) where: Base-Base interactions energy: -222.055 where: short stacking energy: -140.199 Base-Backbone interact. energy: -3.249 local terms energy: -264.252117 where: bonds (distance) C4'-P energy: -65.594 bonds (distance) P-C4' energy: -65.100 flat angles C4'-P-C4' energy: -74.681 flat angles P-C4'-P energy: -39.025 tors. eta vs tors. theta energy: -19.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -396.136226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.136226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.136226 (E_RNA) where: Base-Base interactions energy: -168.755 where: short stacking energy: -131.331 Base-Backbone interact. energy: -0.217 local terms energy: -227.163925 where: bonds (distance) C4'-P energy: -53.438 bonds (distance) P-C4' energy: -68.963 flat angles C4'-P-C4' energy: -54.704 flat angles P-C4'-P energy: -41.649 tors. eta vs tors. theta energy: -8.410 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: 4 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -322.634854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.634854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.634854 (E_RNA) where: Base-Base interactions energy: -98.326 where: short stacking energy: -71.494 Base-Backbone interact. energy: 3.303 local terms energy: -227.612299 where: bonds (distance) C4'-P energy: -79.155 bonds (distance) P-C4' energy: -76.650 flat angles C4'-P-C4' energy: -49.928 flat angles P-C4'-P energy: -28.929 tors. eta vs tors. theta energy: 7.050 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: 7 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1341.828563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.828563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.828563 (E_RNA) where: Base-Base interactions energy: -922.029 where: short stacking energy: -422.668 Base-Backbone interact. energy: -0.346 local terms energy: -419.453460 where: bonds (distance) C4'-P energy: -78.601 bonds (distance) P-C4' energy: -79.358 flat angles C4'-P-C4' energy: -85.097 flat angles P-C4'-P energy: -53.608 tors. eta vs tors. theta energy: -122.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1214.175674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.175674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.175674 (E_RNA) where: Base-Base interactions energy: -789.554 where: short stacking energy: -351.556 Base-Backbone interact. energy: -1.600 local terms energy: -423.021139 where: bonds (distance) C4'-P energy: -87.908 bonds (distance) P-C4' energy: -76.887 flat angles C4'-P-C4' energy: -90.811 flat angles P-C4'-P energy: -62.592 tors. eta vs tors. theta energy: -104.824 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: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1085.172075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.172075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.172075 (E_RNA) where: Base-Base interactions energy: -726.859 where: short stacking energy: -332.059 Base-Backbone interact. energy: -0.307 local terms energy: -358.006127 where: bonds (distance) C4'-P energy: -64.796 bonds (distance) P-C4' energy: -72.312 flat angles C4'-P-C4' energy: -83.265 flat angles P-C4'-P energy: -49.369 tors. eta vs tors. theta energy: -88.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -970.194824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.194824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.194824 (E_RNA) where: Base-Base interactions energy: -612.567 where: short stacking energy: -304.513 Base-Backbone interact. energy: -1.783 local terms energy: -355.844469 where: bonds (distance) C4'-P energy: -70.711 bonds (distance) P-C4' energy: -65.471 flat angles C4'-P-C4' energy: -81.990 flat angles P-C4'-P energy: -61.974 tors. eta vs tors. theta energy: -75.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -887.689161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.689161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.689161 (E_RNA) where: Base-Base interactions energy: -559.781 where: short stacking energy: -270.482 Base-Backbone interact. energy: -2.828 local terms energy: -325.080797 where: bonds (distance) C4'-P energy: -62.249 bonds (distance) P-C4' energy: -70.768 flat angles C4'-P-C4' energy: -74.781 flat angles P-C4'-P energy: -46.203 tors. eta vs tors. theta energy: -71.080 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: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -865.122297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.122297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.122297 (E_RNA) where: Base-Base interactions energy: -549.016 where: short stacking energy: -246.808 Base-Backbone interact. energy: -0.280 local terms energy: -315.826657 where: bonds (distance) C4'-P energy: -65.132 bonds (distance) P-C4' energy: -71.113 flat angles C4'-P-C4' energy: -63.809 flat angles P-C4'-P energy: -49.496 tors. eta vs tors. theta energy: -66.277 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: 10 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -595.200949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.200949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.200949 (E_RNA) where: Base-Base interactions energy: -319.101 where: short stacking energy: -170.555 Base-Backbone interact. energy: 3.118 local terms energy: -279.218317 where: bonds (distance) C4'-P energy: -77.920 bonds (distance) P-C4' energy: -66.922 flat angles C4'-P-C4' energy: -69.296 flat angles P-C4'-P energy: -35.879 tors. eta vs tors. theta energy: -29.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -510.602635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.602635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.602635 (E_RNA) where: Base-Base interactions energy: -256.901 where: short stacking energy: -169.706 Base-Backbone interact. energy: 5.453 local terms energy: -259.154754 where: bonds (distance) C4'-P energy: -73.386 bonds (distance) P-C4' energy: -81.497 flat angles C4'-P-C4' energy: -56.657 flat angles P-C4'-P energy: -30.831 tors. eta vs tors. theta energy: -16.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -343.408647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.408647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.408647 (E_RNA) where: Base-Base interactions energy: -129.172 where: short stacking energy: -102.819 Base-Backbone interact. energy: -1.936 local terms energy: -212.300817 where: bonds (distance) C4'-P energy: -60.010 bonds (distance) P-C4' energy: -64.720 flat angles C4'-P-C4' energy: -54.556 flat angles P-C4'-P energy: -40.568 tors. eta vs tors. theta energy: 7.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -335.587660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.587660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.587660 (E_RNA) where: Base-Base interactions energy: -123.981 where: short stacking energy: -94.444 Base-Backbone interact. energy: -1.596 local terms energy: -210.010937 where: bonds (distance) C4'-P energy: -64.369 bonds (distance) P-C4' energy: -71.576 flat angles C4'-P-C4' energy: -58.823 flat angles P-C4'-P energy: -37.743 tors. eta vs tors. theta energy: 22.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1329.433045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.433045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.433045 (E_RNA) where: Base-Base interactions energy: -909.854 where: short stacking energy: -402.626 Base-Backbone interact. energy: -1.185 local terms energy: -418.394541 where: bonds (distance) C4'-P energy: -78.752 bonds (distance) P-C4' energy: -70.747 flat angles C4'-P-C4' energy: -87.430 flat angles P-C4'-P energy: -57.509 tors. eta vs tors. theta energy: -123.957 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: 9 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1209.912131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.912131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.912131 (E_RNA) where: Base-Base interactions energy: -804.510 where: short stacking energy: -372.430 Base-Backbone interact. energy: -0.124 local terms energy: -405.277990 where: bonds (distance) C4'-P energy: -78.983 bonds (distance) P-C4' energy: -80.633 flat angles C4'-P-C4' energy: -80.639 flat angles P-C4'-P energy: -56.881 tors. eta vs tors. theta energy: -108.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1109.701158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.701158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.701158 (E_RNA) where: Base-Base interactions energy: -730.842 where: short stacking energy: -347.673 Base-Backbone interact. energy: -2.739 local terms energy: -376.120087 where: bonds (distance) C4'-P energy: -66.650 bonds (distance) P-C4' energy: -83.260 flat angles C4'-P-C4' energy: -76.863 flat angles P-C4'-P energy: -58.521 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: 4, replica: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -969.439671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.439671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.439671 (E_RNA) where: Base-Base interactions energy: -628.661 where: short stacking energy: -317.727 Base-Backbone interact. energy: 0.610 local terms energy: -341.389062 where: bonds (distance) C4'-P energy: -61.850 bonds (distance) P-C4' energy: -69.412 flat angles C4'-P-C4' energy: -79.188 flat angles P-C4'-P energy: -43.912 tors. eta vs tors. theta energy: -87.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -918.301889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.301889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.301889 (E_RNA) where: Base-Base interactions energy: -593.089 where: short stacking energy: -274.588 Base-Backbone interact. energy: -1.209 local terms energy: -324.003878 where: bonds (distance) C4'-P energy: -70.856 bonds (distance) P-C4' energy: -76.637 flat angles C4'-P-C4' energy: -76.022 flat angles P-C4'-P energy: -45.128 tors. eta vs tors. theta energy: -55.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -650.808464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.808464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.808464 (E_RNA) where: Base-Base interactions energy: -366.399 where: short stacking energy: -182.200 Base-Backbone interact. energy: -0.785 local terms energy: -283.623858 where: bonds (distance) C4'-P energy: -70.190 bonds (distance) P-C4' energy: -65.069 flat angles C4'-P-C4' energy: -80.080 flat angles P-C4'-P energy: -42.718 tors. eta vs tors. theta energy: -25.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -750.877567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.877567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.877567 (E_RNA) where: Base-Base interactions energy: -465.634 where: short stacking energy: -214.427 Base-Backbone interact. energy: -1.663 local terms energy: -283.580604 where: bonds (distance) C4'-P energy: -69.223 bonds (distance) P-C4' energy: -62.195 flat angles C4'-P-C4' energy: -70.446 flat angles P-C4'-P energy: -35.937 tors. eta vs tors. theta energy: -45.779 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: 5 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -488.202311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.202311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.202311 (E_RNA) where: Base-Base interactions energy: -242.144 where: short stacking energy: -160.724 Base-Backbone interact. energy: -1.971 local terms energy: -244.087161 where: bonds (distance) C4'-P energy: -55.298 bonds (distance) P-C4' energy: -81.863 flat angles C4'-P-C4' energy: -57.010 flat angles P-C4'-P energy: -38.444 tors. eta vs tors. theta energy: -11.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -353.435517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.435517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.435517 (E_RNA) where: Base-Base interactions energy: -123.823 where: short stacking energy: -109.021 Base-Backbone interact. energy: 0.317 local terms energy: -229.929543 where: bonds (distance) C4'-P energy: -60.400 bonds (distance) P-C4' energy: -78.997 flat angles C4'-P-C4' energy: -67.135 flat angles P-C4'-P energy: -22.742 tors. eta vs tors. theta energy: -0.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -302.831473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.831473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.831473 (E_RNA) where: Base-Base interactions energy: -112.475 where: short stacking energy: -93.159 Base-Backbone interact. energy: 2.395 local terms energy: -192.751103 where: bonds (distance) C4'-P energy: -55.637 bonds (distance) P-C4' energy: -70.481 flat angles C4'-P-C4' energy: -60.998 flat angles P-C4'-P energy: -20.354 tors. eta vs tors. theta energy: 14.719 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: 7 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1334.315588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.315588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.315588 (E_RNA) where: Base-Base interactions energy: -885.766 where: short stacking energy: -417.311 Base-Backbone interact. energy: -2.963 local terms energy: -445.585864 where: bonds (distance) C4'-P energy: -82.746 bonds (distance) P-C4' energy: -77.198 flat angles C4'-P-C4' energy: -89.978 flat angles P-C4'-P energy: -71.408 tors. eta vs tors. theta energy: -124.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1201.527882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.527882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.527882 (E_RNA) where: Base-Base interactions energy: -784.336 where: short stacking energy: -360.063 Base-Backbone interact. energy: -1.307 local terms energy: -415.884435 where: bonds (distance) C4'-P energy: -74.003 bonds (distance) P-C4' energy: -74.354 flat angles C4'-P-C4' energy: -94.891 flat angles P-C4'-P energy: -68.643 tors. eta vs tors. theta energy: -103.994 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: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1099.991932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.991932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.991932 (E_RNA) where: Base-Base interactions energy: -736.512 where: short stacking energy: -345.560 Base-Backbone interact. energy: -1.950 local terms energy: -361.529770 where: bonds (distance) C4'-P energy: -75.551 bonds (distance) P-C4' energy: -72.677 flat angles C4'-P-C4' energy: -80.332 flat angles P-C4'-P energy: -37.668 tors. eta vs tors. theta energy: -95.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1024.369029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.369029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.369029 (E_RNA) where: Base-Base interactions energy: -638.495 where: short stacking energy: -304.685 Base-Backbone interact. energy: -0.721 local terms energy: -385.153685 where: bonds (distance) C4'-P energy: -66.547 bonds (distance) P-C4' energy: -84.290 flat angles C4'-P-C4' energy: -78.751 flat angles P-C4'-P energy: -60.670 tors. eta vs tors. theta energy: -94.896 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: 3 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -915.846514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.846514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.846514 (E_RNA) where: Base-Base interactions energy: -575.356 where: short stacking energy: -277.212 Base-Backbone interact. energy: -3.534 local terms energy: -336.956461 where: bonds (distance) C4'-P energy: -70.175 bonds (distance) P-C4' energy: -86.727 flat angles C4'-P-C4' energy: -73.741 flat angles P-C4'-P energy: -42.156 tors. eta vs tors. theta energy: -64.157 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: 10 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -650.596548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.596548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.596548 (E_RNA) where: Base-Base interactions energy: -356.011 where: short stacking energy: -201.275 Base-Backbone interact. energy: -0.051 local terms energy: -294.533941 where: bonds (distance) C4'-P energy: -60.992 bonds (distance) P-C4' energy: -76.451 flat angles C4'-P-C4' energy: -66.026 flat angles P-C4'-P energy: -45.742 tors. eta vs tors. theta energy: -45.322 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: 8 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -770.472052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.472052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.472052 (E_RNA) where: Base-Base interactions energy: -493.105 where: short stacking energy: -242.389 Base-Backbone interact. energy: -0.384 local terms energy: -276.983290 where: bonds (distance) C4'-P energy: -65.419 bonds (distance) P-C4' energy: -71.186 flat angles C4'-P-C4' energy: -65.781 flat angles P-C4'-P energy: -26.833 tors. eta vs tors. theta energy: -47.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -482.631151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.631151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.631151 (E_RNA) where: Base-Base interactions energy: -231.543 where: short stacking energy: -138.282 Base-Backbone interact. energy: -3.032 local terms energy: -248.056318 where: bonds (distance) C4'-P energy: -79.265 bonds (distance) P-C4' energy: -59.297 flat angles C4'-P-C4' energy: -64.019 flat angles P-C4'-P energy: -29.334 tors. eta vs tors. theta energy: -16.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -396.277736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.277736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.277736 (E_RNA) where: Base-Base interactions energy: -168.630 where: short stacking energy: -112.482 Base-Backbone interact. energy: 6.396 local terms energy: -234.044033 where: bonds (distance) C4'-P energy: -63.987 bonds (distance) P-C4' energy: -71.643 flat angles C4'-P-C4' energy: -53.741 flat angles P-C4'-P energy: -46.930 tors. eta vs tors. theta energy: 2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -325.356851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.356851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.356851 (E_RNA) where: Base-Base interactions energy: -120.982 where: short stacking energy: -119.548 Base-Backbone interact. energy: 3.106 local terms energy: -207.481339 where: bonds (distance) C4'-P energy: -59.877 bonds (distance) P-C4' energy: -64.981 flat angles C4'-P-C4' energy: -65.923 flat angles P-C4'-P energy: -12.515 tors. eta vs tors. theta energy: -4.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1332.510430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.510430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.510430 (E_RNA) where: Base-Base interactions energy: -916.244 where: short stacking energy: -421.174 Base-Backbone interact. energy: -2.052 local terms energy: -414.214990 where: bonds (distance) C4'-P energy: -64.604 bonds (distance) P-C4' energy: -75.039 flat angles C4'-P-C4' energy: -93.175 flat angles P-C4'-P energy: -56.287 tors. eta vs tors. theta energy: -125.110 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: 9 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1200.249164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.249164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.249164 (E_RNA) where: Base-Base interactions energy: -817.024 where: short stacking energy: -376.031 Base-Backbone interact. energy: -0.342 local terms energy: -382.882390 where: bonds (distance) C4'-P energy: -81.404 bonds (distance) P-C4' energy: -71.923 flat angles C4'-P-C4' energy: -82.086 flat angles P-C4'-P energy: -48.194 tors. eta vs tors. theta energy: -99.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1118.550509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.550509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.550509 (E_RNA) where: Base-Base interactions energy: -720.823 where: short stacking energy: -348.681 Base-Backbone interact. energy: -2.512 local terms energy: -395.215425 where: bonds (distance) C4'-P energy: -73.339 bonds (distance) P-C4' energy: -84.490 flat angles C4'-P-C4' energy: -81.851 flat angles P-C4'-P energy: -54.646 tors. eta vs tors. theta energy: -100.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -997.531786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.531786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.531786 (E_RNA) where: Base-Base interactions energy: -638.413 where: short stacking energy: -317.144 Base-Backbone interact. energy: -0.852 local terms energy: -358.267411 where: bonds (distance) C4'-P energy: -71.178 bonds (distance) P-C4' energy: -74.887 flat angles C4'-P-C4' energy: -65.235 flat angles P-C4'-P energy: -49.286 tors. eta vs tors. theta energy: -97.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -982.927343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.927343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.927343 (E_RNA) where: Base-Base interactions energy: -657.868 where: short stacking energy: -267.955 Base-Backbone interact. energy: -0.679 local terms energy: -324.380519 where: bonds (distance) C4'-P energy: -71.584 bonds (distance) P-C4' energy: -63.199 flat angles C4'-P-C4' energy: -74.219 flat angles P-C4'-P energy: -52.688 tors. eta vs tors. theta energy: -62.690 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: 6, replica: 10 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -704.603885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.603885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.603885 (E_RNA) where: Base-Base interactions energy: -408.085 where: short stacking energy: -225.752 Base-Backbone interact. energy: -0.903 local terms energy: -295.616339 where: bonds (distance) C4'-P energy: -58.745 bonds (distance) P-C4' energy: -72.071 flat angles C4'-P-C4' energy: -74.028 flat angles P-C4'-P energy: -42.931 tors. eta vs tors. theta energy: -47.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -726.292019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.292019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.292019 (E_RNA) where: Base-Base interactions energy: -457.035 where: short stacking energy: -204.302 Base-Backbone interact. energy: -2.953 local terms energy: -266.304316 where: bonds (distance) C4'-P energy: -55.484 bonds (distance) P-C4' energy: -66.287 flat angles C4'-P-C4' energy: -76.068 flat angles P-C4'-P energy: -32.600 tors. eta vs tors. theta energy: -35.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -456.124914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.124914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.124914 (E_RNA) where: Base-Base interactions energy: -227.516 where: short stacking energy: -128.250 Base-Backbone interact. energy: 3.006 local terms energy: -231.615215 where: bonds (distance) C4'-P energy: -72.362 bonds (distance) P-C4' energy: -70.379 flat angles C4'-P-C4' energy: -50.223 flat angles P-C4'-P energy: -38.483 tors. eta vs tors. theta energy: -0.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -410.642605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.642605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.642605 (E_RNA) where: Base-Base interactions energy: -175.895 where: short stacking energy: -102.625 Base-Backbone interact. energy: -0.170 local terms energy: -234.577344 where: bonds (distance) C4'-P energy: -61.880 bonds (distance) P-C4' energy: -73.370 flat angles C4'-P-C4' energy: -53.698 flat angles P-C4'-P energy: -40.316 tors. eta vs tors. theta energy: -5.313 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: 4 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -352.546182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.546182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.546182 (E_RNA) where: Base-Base interactions energy: -143.104 where: short stacking energy: -100.423 Base-Backbone interact. energy: 0.948 local terms energy: -210.389586 where: bonds (distance) C4'-P energy: -65.968 bonds (distance) P-C4' energy: -52.466 flat angles C4'-P-C4' energy: -64.978 flat angles P-C4'-P energy: -30.644 tors. eta vs tors. theta energy: 3.666 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: 1, replica: 7 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1342.189180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.189180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.189180 (E_RNA) where: Base-Base interactions energy: -919.786 where: short stacking energy: -408.693 Base-Backbone interact. energy: -0.189 local terms energy: -422.214522 where: bonds (distance) C4'-P energy: -71.764 bonds (distance) P-C4' energy: -84.576 flat angles C4'-P-C4' energy: -85.227 flat angles P-C4'-P energy: -56.545 tors. eta vs tors. theta energy: -124.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1219.651505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.651505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.651505 (E_RNA) where: Base-Base interactions energy: -822.163 where: short stacking energy: -375.167 Base-Backbone interact. energy: 5.264 local terms energy: -402.751797 where: bonds (distance) C4'-P energy: -79.264 bonds (distance) P-C4' energy: -71.625 flat angles C4'-P-C4' energy: -85.391 flat angles P-C4'-P energy: -62.230 tors. eta vs tors. theta energy: -104.242 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: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1141.408541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.408541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.408541 (E_RNA) where: Base-Base interactions energy: -764.666 where: short stacking energy: -345.299 Base-Backbone interact. energy: -3.153 local terms energy: -373.588881 where: bonds (distance) C4'-P energy: -65.628 bonds (distance) P-C4' energy: -77.698 flat angles C4'-P-C4' energy: -83.881 flat angles P-C4'-P energy: -55.234 tors. eta vs tors. theta energy: -91.148 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: 1 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1036.260876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.260876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.260876 (E_RNA) where: Base-Base interactions energy: -680.207 where: short stacking energy: -295.767 Base-Backbone interact. energy: -1.320 local terms energy: -354.733784 where: bonds (distance) C4'-P energy: -71.896 bonds (distance) P-C4' energy: -71.765 flat angles C4'-P-C4' energy: -86.710 flat angles P-C4'-P energy: -43.061 tors. eta vs tors. theta energy: -81.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1004.902849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.902849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.902849 (E_RNA) where: Base-Base interactions energy: -649.782 where: short stacking energy: -284.732 Base-Backbone interact. energy: -1.575 local terms energy: -353.546460 where: bonds (distance) C4'-P energy: -78.057 bonds (distance) P-C4' energy: -68.840 flat angles C4'-P-C4' energy: -77.936 flat angles P-C4'-P energy: -49.247 tors. eta vs tors. theta energy: -79.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -724.323351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.323351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.323351 (E_RNA) where: Base-Base interactions energy: -424.665 where: short stacking energy: -231.210 Base-Backbone interact. energy: -1.118 local terms energy: -298.540746 where: bonds (distance) C4'-P energy: -61.254 bonds (distance) P-C4' energy: -72.176 flat angles C4'-P-C4' energy: -74.419 flat angles P-C4'-P energy: -51.839 tors. eta vs tors. theta energy: -38.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -712.023448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.023448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.023448 (E_RNA) where: Base-Base interactions energy: -430.659 where: short stacking energy: -203.359 Base-Backbone interact. energy: -2.096 local terms energy: -279.268361 where: bonds (distance) C4'-P energy: -65.851 bonds (distance) P-C4' energy: -61.386 flat angles C4'-P-C4' energy: -71.619 flat angles P-C4'-P energy: -42.032 tors. eta vs tors. theta energy: -38.382 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: 5 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -423.622654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.622654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.622654 (E_RNA) where: Base-Base interactions energy: -216.981 where: short stacking energy: -147.547 Base-Backbone interact. energy: -1.612 local terms energy: -205.029308 where: bonds (distance) C4'-P energy: -51.569 bonds (distance) P-C4' energy: -72.911 flat angles C4'-P-C4' energy: -48.838 flat angles P-C4'-P energy: -24.404 tors. eta vs tors. theta energy: -7.307 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: 6 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -423.862290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.862290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.862290 (E_RNA) where: Base-Base interactions energy: -219.694 where: short stacking energy: -133.542 Base-Backbone interact. energy: -0.095 local terms energy: -204.073055 where: bonds (distance) C4'-P energy: -57.903 bonds (distance) P-C4' energy: -66.128 flat angles C4'-P-C4' energy: -45.012 flat angles P-C4'-P energy: -34.739 tors. eta vs tors. theta energy: -0.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -303.039254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.039254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.039254 (E_RNA) where: Base-Base interactions energy: -112.526 where: short stacking energy: -91.160 Base-Backbone interact. energy: 4.917 local terms energy: -195.430236 where: bonds (distance) C4'-P energy: -72.409 bonds (distance) P-C4' energy: -57.615 flat angles C4'-P-C4' energy: -46.953 flat angles P-C4'-P energy: -38.759 tors. eta vs tors. theta energy: 20.305 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: 7 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1341.416121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.416121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.416121 (E_RNA) where: Base-Base interactions energy: -902.528 where: short stacking energy: -396.641 Base-Backbone interact. energy: -1.988 local terms energy: -436.900664 where: bonds (distance) C4'-P energy: -77.783 bonds (distance) P-C4' energy: -75.406 flat angles C4'-P-C4' energy: -94.270 flat angles P-C4'-P energy: -63.513 tors. eta vs tors. theta energy: -125.929 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: 9 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1196.186924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.186924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.186924 (E_RNA) where: Base-Base interactions energy: -807.199 where: short stacking energy: -372.480 Base-Backbone interact. energy: 0.752 local terms energy: -389.739607 where: bonds (distance) C4'-P energy: -77.424 bonds (distance) P-C4' energy: -82.718 flat angles C4'-P-C4' energy: -74.822 flat angles P-C4'-P energy: -48.959 tors. eta vs tors. theta energy: -105.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1152.389244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.389244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.389244 (E_RNA) where: Base-Base interactions energy: -760.905 where: short stacking energy: -348.964 Base-Backbone interact. energy: -2.056 local terms energy: -389.427926 where: bonds (distance) C4'-P energy: -71.936 bonds (distance) P-C4' energy: -76.689 flat angles C4'-P-C4' energy: -92.198 flat angles P-C4'-P energy: -53.263 tors. eta vs tors. theta energy: -95.343 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: 1 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1060.055773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.055773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.055773 (E_RNA) where: Base-Base interactions energy: -695.639 where: short stacking energy: -329.220 Base-Backbone interact. energy: -1.456 local terms energy: -362.961394 where: bonds (distance) C4'-P energy: -67.524 bonds (distance) P-C4' energy: -72.419 flat angles C4'-P-C4' energy: -86.880 flat angles P-C4'-P energy: -48.050 tors. eta vs tors. theta energy: -88.089 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: 3 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1038.104402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.104402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.104402 (E_RNA) where: Base-Base interactions energy: -704.245 where: short stacking energy: -301.636 Base-Backbone interact. energy: 0.726 local terms energy: -334.585272 where: bonds (distance) C4'-P energy: -60.974 bonds (distance) P-C4' energy: -66.554 flat angles C4'-P-C4' energy: -75.894 flat angles P-C4'-P energy: -51.585 tors. eta vs tors. theta energy: -79.579 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: 8 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -689.209349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.209349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.209349 (E_RNA) where: Base-Base interactions energy: -398.692 where: short stacking energy: -219.113 Base-Backbone interact. energy: -2.993 local terms energy: -287.524785 where: bonds (distance) C4'-P energy: -69.089 bonds (distance) P-C4' energy: -68.805 flat angles C4'-P-C4' energy: -76.824 flat angles P-C4'-P energy: -33.997 tors. eta vs tors. theta energy: -38.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -681.090957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.090957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.090957 (E_RNA) where: Base-Base interactions energy: -421.938 where: short stacking energy: -189.471 Base-Backbone interact. energy: -1.617 local terms energy: -257.536554 where: bonds (distance) C4'-P energy: -56.076 bonds (distance) P-C4' energy: -65.156 flat angles C4'-P-C4' energy: -68.782 flat angles P-C4'-P energy: -29.687 tors. eta vs tors. theta energy: -37.836 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: 5 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -428.126504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.126504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.126504 (E_RNA) where: Base-Base interactions energy: -210.530 where: short stacking energy: -111.170 Base-Backbone interact. energy: 1.266 local terms energy: -218.862431 where: bonds (distance) C4'-P energy: -58.317 bonds (distance) P-C4' energy: -77.965 flat angles C4'-P-C4' energy: -48.881 flat angles P-C4'-P energy: -34.021 tors. eta vs tors. theta energy: 0.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -395.157396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.157396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.157396 (E_RNA) where: Base-Base interactions energy: -172.017 where: short stacking energy: -105.349 Base-Backbone interact. energy: -2.573 local terms energy: -220.566713 where: bonds (distance) C4'-P energy: -58.162 bonds (distance) P-C4' energy: -59.728 flat angles C4'-P-C4' energy: -69.964 flat angles P-C4'-P energy: -36.642 tors. eta vs tors. theta energy: 3.929 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: 10, replica: 4 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -374.012573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.012573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.012573 (E_RNA) where: Base-Base interactions energy: -149.114 where: short stacking energy: -89.941 Base-Backbone interact. energy: -1.308 local terms energy: -223.590238 where: bonds (distance) C4'-P energy: -59.114 bonds (distance) P-C4' energy: -69.425 flat angles C4'-P-C4' energy: -53.915 flat angles P-C4'-P energy: -39.289 tors. eta vs tors. theta energy: -1.847 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: 7 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1331.317718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.317718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.317718 (E_RNA) where: Base-Base interactions energy: -902.694 where: short stacking energy: -399.540 Base-Backbone interact. energy: -1.038 local terms energy: -427.585971 where: bonds (distance) C4'-P energy: -73.876 bonds (distance) P-C4' energy: -79.666 flat angles C4'-P-C4' energy: -86.415 flat angles P-C4'-P energy: -67.189 tors. eta vs tors. theta energy: -120.441 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: 9 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1187.677310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.677310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.677310 (E_RNA) where: Base-Base interactions energy: -785.292 where: short stacking energy: -363.193 Base-Backbone interact. energy: -0.351 local terms energy: -402.034689 where: bonds (distance) C4'-P energy: -77.390 bonds (distance) P-C4' energy: -78.333 flat angles C4'-P-C4' energy: -86.081 flat angles P-C4'-P energy: -61.757 tors. eta vs tors. theta energy: -98.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1125.477495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.477495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.477495 (E_RNA) where: Base-Base interactions energy: -732.925 where: short stacking energy: -337.476 Base-Backbone interact. energy: -2.610 local terms energy: -389.942511 where: bonds (distance) C4'-P energy: -76.124 bonds (distance) P-C4' energy: -75.527 flat angles C4'-P-C4' energy: -77.273 flat angles P-C4'-P energy: -56.018 tors. eta vs tors. theta energy: -105.001 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: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1076.760167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.760167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.760167 (E_RNA) where: Base-Base interactions energy: -698.907 where: short stacking energy: -326.532 Base-Backbone interact. energy: -1.046 local terms energy: -376.807190 where: bonds (distance) C4'-P energy: -68.328 bonds (distance) P-C4' energy: -78.716 flat angles C4'-P-C4' energy: -84.462 flat angles P-C4'-P energy: -53.067 tors. eta vs tors. theta energy: -92.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1028.212351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.212351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.212351 (E_RNA) where: Base-Base interactions energy: -682.669 where: short stacking energy: -296.193 Base-Backbone interact. energy: -4.082 local terms energy: -341.462253 where: bonds (distance) C4'-P energy: -59.971 bonds (distance) P-C4' energy: -72.791 flat angles C4'-P-C4' energy: -86.304 flat angles P-C4'-P energy: -50.529 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: 6, replica: 8 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -759.002102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.002102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.002102 (E_RNA) where: Base-Base interactions energy: -477.494 where: short stacking energy: -231.599 Base-Backbone interact. energy: -0.495 local terms energy: -281.013148 where: bonds (distance) C4'-P energy: -62.354 bonds (distance) P-C4' energy: -63.813 flat angles C4'-P-C4' energy: -65.232 flat angles P-C4'-P energy: -43.561 tors. eta vs tors. theta energy: -46.053 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: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -647.909272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.909272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.909272 (E_RNA) where: Base-Base interactions energy: -367.926 where: short stacking energy: -182.530 Base-Backbone interact. energy: -0.223 local terms energy: -279.760259 where: bonds (distance) C4'-P energy: -73.281 bonds (distance) P-C4' energy: -65.413 flat angles C4'-P-C4' energy: -73.232 flat angles P-C4'-P energy: -41.237 tors. eta vs tors. theta energy: -26.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -499.069250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.069250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.069250 (E_RNA) where: Base-Base interactions energy: -244.790 where: short stacking energy: -146.489 Base-Backbone interact. energy: 0.590 local terms energy: -254.869202 where: bonds (distance) C4'-P energy: -67.584 bonds (distance) P-C4' energy: -75.771 flat angles C4'-P-C4' energy: -51.313 flat angles P-C4'-P energy: -42.055 tors. eta vs tors. theta energy: -18.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -475.444155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.444155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.444155 (E_RNA) where: Base-Base interactions energy: -224.194 where: short stacking energy: -133.419 Base-Backbone interact. energy: 0.733 local terms energy: -251.983541 where: bonds (distance) C4'-P energy: -66.330 bonds (distance) P-C4' energy: -72.484 flat angles C4'-P-C4' energy: -62.881 flat angles P-C4'-P energy: -41.998 tors. eta vs tors. theta energy: -8.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -378.136068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.136068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.136068 (E_RNA) where: Base-Base interactions energy: -160.445 where: short stacking energy: -109.988 Base-Backbone interact. energy: -2.977 local terms energy: -214.714300 where: bonds (distance) C4'-P energy: -61.825 bonds (distance) P-C4' energy: -54.479 flat angles C4'-P-C4' energy: -60.756 flat angles P-C4'-P energy: -45.913 tors. eta vs tors. theta energy: 8.259 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: 7 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1329.235903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.235903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.235903 (E_RNA) where: Base-Base interactions energy: -886.855 where: short stacking energy: -396.280 Base-Backbone interact. energy: -1.316 local terms energy: -441.064845 where: bonds (distance) C4'-P energy: -76.731 bonds (distance) P-C4' energy: -77.438 flat angles C4'-P-C4' energy: -98.038 flat angles P-C4'-P energy: -64.112 tors. eta vs tors. theta energy: -124.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1223.245348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.245348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.245348 (E_RNA) where: Base-Base interactions energy: -834.400 where: short stacking energy: -374.737 Base-Backbone interact. energy: -2.011 local terms energy: -386.834573 where: bonds (distance) C4'-P energy: -76.498 bonds (distance) P-C4' energy: -69.693 flat angles C4'-P-C4' energy: -89.460 flat angles P-C4'-P energy: -56.564 tors. eta vs tors. theta energy: -94.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1125.253156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.253156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.253156 (E_RNA) where: Base-Base interactions energy: -734.439 where: short stacking energy: -334.447 Base-Backbone interact. energy: -3.875 local terms energy: -386.939291 where: bonds (distance) C4'-P energy: -66.461 bonds (distance) P-C4' energy: -77.877 flat angles C4'-P-C4' energy: -89.333 flat angles P-C4'-P energy: -56.345 tors. eta vs tors. theta energy: -96.923 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: 27 Temperature: 1.050000 Total energy: -1073.849797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.849797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.849797 (E_RNA) where: Base-Base interactions energy: -736.872 where: short stacking energy: -316.226 Base-Backbone interact. energy: -2.216 local terms energy: -334.761109 where: bonds (distance) C4'-P energy: -67.087 bonds (distance) P-C4' energy: -64.023 flat angles C4'-P-C4' energy: -83.895 flat angles P-C4'-P energy: -46.618 tors. eta vs tors. theta energy: -73.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1042.121813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.121813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.121813 (E_RNA) where: Base-Base interactions energy: -676.171 where: short stacking energy: -326.344 Base-Backbone interact. energy: -0.611 local terms energy: -365.339982 where: bonds (distance) C4'-P energy: -72.408 bonds (distance) P-C4' energy: -76.777 flat angles C4'-P-C4' energy: -81.482 flat angles P-C4'-P energy: -37.356 tors. eta vs tors. theta energy: -97.318 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: 8 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -744.155672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.155672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.155672 (E_RNA) where: Base-Base interactions energy: -446.339 where: short stacking energy: -211.347 Base-Backbone interact. energy: -1.169 local terms energy: -296.647833 where: bonds (distance) C4'-P energy: -52.402 bonds (distance) P-C4' energy: -87.963 flat angles C4'-P-C4' energy: -69.420 flat angles P-C4'-P energy: -49.220 tors. eta vs tors. theta energy: -37.642 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: 10 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -650.105182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.105182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.105182 (E_RNA) where: Base-Base interactions energy: -372.624 where: short stacking energy: -194.976 Base-Backbone interact. energy: -0.565 local terms energy: -276.916342 where: bonds (distance) C4'-P energy: -61.571 bonds (distance) P-C4' energy: -69.529 flat angles C4'-P-C4' energy: -69.242 flat angles P-C4'-P energy: -44.078 tors. eta vs tors. theta energy: -32.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -583.694029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.694029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.694029 (E_RNA) where: Base-Base interactions energy: -316.230 where: short stacking energy: -175.206 Base-Backbone interact. energy: -0.137 local terms energy: -267.327388 where: bonds (distance) C4'-P energy: -69.033 bonds (distance) P-C4' energy: -78.387 flat angles C4'-P-C4' energy: -62.611 flat angles P-C4'-P energy: -32.956 tors. eta vs tors. theta energy: -24.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -458.964267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.964267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.964267 (E_RNA) where: Base-Base interactions energy: -209.927 where: short stacking energy: -121.397 Base-Backbone interact. energy: 0.425 local terms energy: -249.463166 where: bonds (distance) C4'-P energy: -62.360 bonds (distance) P-C4' energy: -73.921 flat angles C4'-P-C4' energy: -64.395 flat angles P-C4'-P energy: -43.119 tors. eta vs tors. theta energy: -5.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -386.733460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.733460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.733460 (E_RNA) where: Base-Base interactions energy: -164.808 where: short stacking energy: -115.185 Base-Backbone interact. energy: 1.942 local terms energy: -223.867334 where: bonds (distance) C4'-P energy: -57.644 bonds (distance) P-C4' energy: -62.401 flat angles C4'-P-C4' energy: -52.298 flat angles P-C4'-P energy: -41.637 tors. eta vs tors. theta energy: -9.887 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: 1, replica: 7 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1336.594108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.594108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.594108 (E_RNA) where: Base-Base interactions energy: -908.801 where: short stacking energy: -406.617 Base-Backbone interact. energy: 0.262 local terms energy: -428.055268 where: bonds (distance) C4'-P energy: -76.535 bonds (distance) P-C4' energy: -82.371 flat angles C4'-P-C4' energy: -91.884 flat angles P-C4'-P energy: -52.050 tors. eta vs tors. theta energy: -125.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1202.652614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.652614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.652614 (E_RNA) where: Base-Base interactions energy: -784.079 where: short stacking energy: -376.886 Base-Backbone interact. energy: 0.000 local terms energy: -418.573889 where: bonds (distance) C4'-P energy: -82.524 bonds (distance) P-C4' energy: -83.532 flat angles C4'-P-C4' energy: -86.680 flat angles P-C4'-P energy: -61.187 tors. eta vs tors. theta energy: -104.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1148.582541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.582541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.582541 (E_RNA) where: Base-Base interactions energy: -756.203 where: short stacking energy: -360.353 Base-Backbone interact. energy: -1.419 local terms energy: -390.960872 where: bonds (distance) C4'-P energy: -76.407 bonds (distance) P-C4' energy: -86.268 flat angles C4'-P-C4' energy: -81.897 flat angles P-C4'-P energy: -45.544 tors. eta vs tors. theta energy: -100.845 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: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1048.960954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.960954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.960954 (E_RNA) where: Base-Base interactions energy: -720.521 where: short stacking energy: -298.545 Base-Backbone interact. energy: -2.573 local terms energy: -325.866073 where: bonds (distance) C4'-P energy: -65.383 bonds (distance) P-C4' energy: -65.070 flat angles C4'-P-C4' energy: -77.845 flat angles P-C4'-P energy: -42.688 tors. eta vs tors. theta energy: -74.879 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: 5, replica: 1 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1017.575521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.575521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.575521 (E_RNA) where: Base-Base interactions energy: -656.052 where: short stacking energy: -320.343 Base-Backbone interact. energy: -0.532 local terms energy: -360.990936 where: bonds (distance) C4'-P energy: -69.560 bonds (distance) P-C4' energy: -74.304 flat angles C4'-P-C4' energy: -80.841 flat angles P-C4'-P energy: -48.198 tors. eta vs tors. theta energy: -88.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -742.406264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.406264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.406264 (E_RNA) where: Base-Base interactions energy: -451.446 where: short stacking energy: -217.117 Base-Backbone interact. energy: 0.629 local terms energy: -291.589140 where: bonds (distance) C4'-P energy: -62.892 bonds (distance) P-C4' energy: -59.518 flat angles C4'-P-C4' energy: -79.127 flat angles P-C4'-P energy: -44.971 tors. eta vs tors. theta energy: -45.081 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: 10 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -702.474417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.474417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.474417 (E_RNA) where: Base-Base interactions energy: -402.980 where: short stacking energy: -207.381 Base-Backbone interact. energy: -0.116 local terms energy: -299.378114 where: bonds (distance) C4'-P energy: -73.828 bonds (distance) P-C4' energy: -68.195 flat angles C4'-P-C4' energy: -66.449 flat angles P-C4'-P energy: -51.565 tors. eta vs tors. theta energy: -39.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -605.017965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.017965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.017965 (E_RNA) where: Base-Base interactions energy: -335.780 where: short stacking energy: -187.376 Base-Backbone interact. energy: -2.977 local terms energy: -266.261181 where: bonds (distance) C4'-P energy: -52.601 bonds (distance) P-C4' energy: -74.667 flat angles C4'-P-C4' energy: -70.882 flat angles P-C4'-P energy: -44.573 tors. eta vs tors. theta energy: -23.538 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: 5 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -484.671830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.671830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.671830 (E_RNA) where: Base-Base interactions energy: -243.634 where: short stacking energy: -130.899 Base-Backbone interact. energy: 2.030 local terms energy: -243.067266 where: bonds (distance) C4'-P energy: -71.272 bonds (distance) P-C4' energy: -75.978 flat angles C4'-P-C4' energy: -49.771 flat angles P-C4'-P energy: -39.426 tors. eta vs tors. theta energy: -6.620 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: 6 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -363.412855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.412855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.412855 (E_RNA) where: Base-Base interactions energy: -162.438 where: short stacking energy: -87.439 Base-Backbone interact. energy: -1.917 local terms energy: -199.058365 where: bonds (distance) C4'-P energy: -48.307 bonds (distance) P-C4' energy: -72.113 flat angles C4'-P-C4' energy: -58.094 flat angles P-C4'-P energy: -36.342 tors. eta vs tors. theta energy: 15.799 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: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1349.947536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.947536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.947536 (E_RNA) where: Base-Base interactions energy: -910.888 where: short stacking energy: -412.827 Base-Backbone interact. energy: -2.857 local terms energy: -436.202343 where: bonds (distance) C4'-P energy: -86.542 bonds (distance) P-C4' energy: -90.866 flat angles C4'-P-C4' energy: -76.631 flat angles P-C4'-P energy: -59.477 tors. eta vs tors. theta energy: -122.687 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: 9 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1218.646494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.646494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.646494 (E_RNA) where: Base-Base interactions energy: -807.995 where: short stacking energy: -389.972 Base-Backbone interact. energy: -0.187 local terms energy: -410.464762 where: bonds (distance) C4'-P energy: -79.788 bonds (distance) P-C4' energy: -78.599 flat angles C4'-P-C4' energy: -80.773 flat angles P-C4'-P energy: -57.918 tors. eta vs tors. theta energy: -113.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1165.851135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.851135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.851135 (E_RNA) where: Base-Base interactions energy: -779.777 where: short stacking energy: -357.534 Base-Backbone interact. energy: -2.235 local terms energy: -383.839316 where: bonds (distance) C4'-P energy: -81.168 bonds (distance) P-C4' energy: -73.248 flat angles C4'-P-C4' energy: -79.652 flat angles P-C4'-P energy: -50.483 tors. eta vs tors. theta energy: -99.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1081.045009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.045009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.045009 (E_RNA) where: Base-Base interactions energy: -731.643 where: short stacking energy: -318.265 Base-Backbone interact. energy: 2.952 local terms energy: -352.354419 where: bonds (distance) C4'-P energy: -76.462 bonds (distance) P-C4' energy: -79.373 flat angles C4'-P-C4' energy: -68.851 flat angles P-C4'-P energy: -52.547 tors. eta vs tors. theta energy: -75.120 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: 5, replica: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -963.774329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.774329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.774329 (E_RNA) where: Base-Base interactions energy: -624.812 where: short stacking energy: -300.747 Base-Backbone interact. energy: -1.281 local terms energy: -337.681609 where: bonds (distance) C4'-P energy: -66.162 bonds (distance) P-C4' energy: -65.346 flat angles C4'-P-C4' energy: -72.042 flat angles P-C4'-P energy: -51.602 tors. eta vs tors. theta energy: -82.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -793.478190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.478190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.478190 (E_RNA) where: Base-Base interactions energy: -491.957 where: short stacking energy: -262.468 Base-Backbone interact. energy: -0.108 local terms energy: -301.413558 where: bonds (distance) C4'-P energy: -64.479 bonds (distance) P-C4' energy: -69.881 flat angles C4'-P-C4' energy: -70.763 flat angles P-C4'-P energy: -42.217 tors. eta vs tors. theta energy: -54.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -709.979758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.979758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.979758 (E_RNA) where: Base-Base interactions energy: -421.487 where: short stacking energy: -211.880 Base-Backbone interact. energy: 0.872 local terms energy: -289.365177 where: bonds (distance) C4'-P energy: -58.801 bonds (distance) P-C4' energy: -77.285 flat angles C4'-P-C4' energy: -68.620 flat angles P-C4'-P energy: -42.390 tors. eta vs tors. theta energy: -42.269 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: 4 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -586.026812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.026812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.026812 (E_RNA) where: Base-Base interactions energy: -320.735 where: short stacking energy: -158.605 Base-Backbone interact. energy: -0.446 local terms energy: -264.845263 where: bonds (distance) C4'-P energy: -60.721 bonds (distance) P-C4' energy: -68.607 flat angles C4'-P-C4' energy: -77.756 flat angles P-C4'-P energy: -41.344 tors. eta vs tors. theta energy: -16.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -481.720383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.720383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.720383 (E_RNA) where: Base-Base interactions energy: -257.200 where: short stacking energy: -124.767 Base-Backbone interact. energy: 1.777 local terms energy: -226.297678 where: bonds (distance) C4'-P energy: -79.111 bonds (distance) P-C4' energy: -72.918 flat angles C4'-P-C4' energy: -44.899 flat angles P-C4'-P energy: -40.087 tors. eta vs tors. theta energy: 10.718 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: 6 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -395.945393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.945393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.945393 (E_RNA) where: Base-Base interactions energy: -194.122 where: short stacking energy: -105.724 Base-Backbone interact. energy: 4.824 local terms energy: -206.647543 where: bonds (distance) C4'-P energy: -56.413 bonds (distance) P-C4' energy: -75.430 flat angles C4'-P-C4' energy: -56.406 flat angles P-C4'-P energy: -29.321 tors. eta vs tors. theta energy: 10.923 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: 7 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1337.175235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.175235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.175235 (E_RNA) where: Base-Base interactions energy: -914.136 where: short stacking energy: -407.874 Base-Backbone interact. energy: -1.284 local terms energy: -421.755240 where: bonds (distance) C4'-P energy: -80.556 bonds (distance) P-C4' energy: -76.210 flat angles C4'-P-C4' energy: -87.927 flat angles P-C4'-P energy: -54.387 tors. eta vs tors. theta energy: -122.675 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: 9 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1207.029631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.029631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.029631 (E_RNA) where: Base-Base interactions energy: -805.336 where: short stacking energy: -361.028 Base-Backbone interact. energy: -1.656 local terms energy: -400.037063 where: bonds (distance) C4'-P energy: -67.936 bonds (distance) P-C4' energy: -81.141 flat angles C4'-P-C4' energy: -91.035 flat angles P-C4'-P energy: -59.772 tors. eta vs tors. theta energy: -100.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1155.949984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.949984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.949984 (E_RNA) where: Base-Base interactions energy: -767.342 where: short stacking energy: -340.540 Base-Backbone interact. energy: 0.019 local terms energy: -388.626393 where: bonds (distance) C4'-P energy: -62.479 bonds (distance) P-C4' energy: -90.864 flat angles C4'-P-C4' energy: -74.840 flat angles P-C4'-P energy: -61.468 tors. eta vs tors. theta energy: -98.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1065.524141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.524141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.524141 (E_RNA) where: Base-Base interactions energy: -717.813 where: short stacking energy: -318.908 Base-Backbone interact. energy: -2.436 local terms energy: -345.275238 where: bonds (distance) C4'-P energy: -64.581 bonds (distance) P-C4' energy: -74.878 flat angles C4'-P-C4' energy: -81.053 flat angles P-C4'-P energy: -46.696 tors. eta vs tors. theta energy: -78.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -950.064145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.064145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.064145 (E_RNA) where: Base-Base interactions energy: -640.942 where: short stacking energy: -283.343 Base-Backbone interact. energy: -2.152 local terms energy: -306.969519 where: bonds (distance) C4'-P energy: -65.148 bonds (distance) P-C4' energy: -51.787 flat angles C4'-P-C4' energy: -78.718 flat angles P-C4'-P energy: -44.296 tors. eta vs tors. theta energy: -67.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -771.938512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.938512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.938512 (E_RNA) where: Base-Base interactions energy: -467.811 where: short stacking energy: -219.730 Base-Backbone interact. energy: -2.032 local terms energy: -302.095526 where: bonds (distance) C4'-P energy: -65.845 bonds (distance) P-C4' energy: -72.084 flat angles C4'-P-C4' energy: -74.307 flat angles P-C4'-P energy: -44.863 tors. eta vs tors. theta energy: -44.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -729.136285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.136285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.136285 (E_RNA) where: Base-Base interactions energy: -428.090 where: short stacking energy: -202.442 Base-Backbone interact. energy: -1.167 local terms energy: -299.879900 where: bonds (distance) C4'-P energy: -75.861 bonds (distance) P-C4' energy: -67.329 flat angles C4'-P-C4' energy: -68.216 flat angles P-C4'-P energy: -43.395 tors. eta vs tors. theta energy: -45.078 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: 8, replica: 4 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -591.746391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.746391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.746391 (E_RNA) where: Base-Base interactions energy: -353.809 where: short stacking energy: -188.880 Base-Backbone interact. energy: 0.061 local terms energy: -237.998485 where: bonds (distance) C4'-P energy: -61.377 bonds (distance) P-C4' energy: -74.126 flat angles C4'-P-C4' energy: -48.778 flat angles P-C4'-P energy: -35.862 tors. eta vs tors. theta energy: -17.856 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: 5 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -427.643013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.643013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.643013 (E_RNA) where: Base-Base interactions energy: -197.551 where: short stacking energy: -123.419 Base-Backbone interact. energy: -0.875 local terms energy: -229.217525 where: bonds (distance) C4'-P energy: -63.357 bonds (distance) P-C4' energy: -74.530 flat angles C4'-P-C4' energy: -53.540 flat angles P-C4'-P energy: -40.673 tors. eta vs tors. theta energy: 2.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -399.385483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.385483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.385483 (E_RNA) where: Base-Base interactions energy: -186.924 where: short stacking energy: -78.424 Base-Backbone interact. energy: -1.916 local terms energy: -210.544938 where: bonds (distance) C4'-P energy: -50.564 bonds (distance) P-C4' energy: -78.468 flat angles C4'-P-C4' energy: -57.601 flat angles P-C4'-P energy: -31.052 tors. eta vs tors. theta energy: 7.141 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: 7 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1344.058436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.058436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.058436 (E_RNA) where: Base-Base interactions energy: -918.069 where: short stacking energy: -424.600 Base-Backbone interact. energy: -2.910 local terms energy: -423.080161 where: bonds (distance) C4'-P energy: -76.198 bonds (distance) P-C4' energy: -72.561 flat angles C4'-P-C4' energy: -87.112 flat angles P-C4'-P energy: -62.667 tors. eta vs tors. theta energy: -124.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1200.726129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.726129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.726129 (E_RNA) where: Base-Base interactions energy: -808.853 where: short stacking energy: -362.880 Base-Backbone interact. energy: -1.476 local terms energy: -390.397121 where: bonds (distance) C4'-P energy: -68.794 bonds (distance) P-C4' energy: -80.037 flat angles C4'-P-C4' energy: -78.220 flat angles P-C4'-P energy: -54.484 tors. eta vs tors. theta energy: -108.863 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: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1181.699050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.699050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.699050 (E_RNA) where: Base-Base interactions energy: -813.866 where: short stacking energy: -347.963 Base-Backbone interact. energy: -0.509 local terms energy: -367.323540 where: bonds (distance) C4'-P energy: -62.521 bonds (distance) P-C4' energy: -71.529 flat angles C4'-P-C4' energy: -83.634 flat angles P-C4'-P energy: -48.292 tors. eta vs tors. theta energy: -101.348 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: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1031.576429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.576429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.576429 (E_RNA) where: Base-Base interactions energy: -691.158 where: short stacking energy: -307.254 Base-Backbone interact. energy: -1.509 local terms energy: -338.909557 where: bonds (distance) C4'-P energy: -71.132 bonds (distance) P-C4' energy: -57.895 flat angles C4'-P-C4' energy: -84.886 flat angles P-C4'-P energy: -50.948 tors. eta vs tors. theta energy: -74.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -979.899435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.899435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.899435 (E_RNA) where: Base-Base interactions energy: -624.986 where: short stacking energy: -302.931 Base-Backbone interact. energy: -0.214 local terms energy: -354.699523 where: bonds (distance) C4'-P energy: -57.258 bonds (distance) P-C4' energy: -76.454 flat angles C4'-P-C4' energy: -87.648 flat angles P-C4'-P energy: -48.502 tors. eta vs tors. theta energy: -84.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -819.828059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.828059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.828059 (E_RNA) where: Base-Base interactions energy: -535.084 where: short stacking energy: -248.342 Base-Backbone interact. energy: 3.156 local terms energy: -287.900315 where: bonds (distance) C4'-P energy: -64.654 bonds (distance) P-C4' energy: -55.686 flat angles C4'-P-C4' energy: -76.769 flat angles P-C4'-P energy: -37.003 tors. eta vs tors. theta energy: -53.789 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: 10 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -737.786473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.786473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.786473 (E_RNA) where: Base-Base interactions energy: -468.775 where: short stacking energy: -219.422 Base-Backbone interact. energy: -1.519 local terms energy: -267.492448 where: bonds (distance) C4'-P energy: -61.213 bonds (distance) P-C4' energy: -58.462 flat angles C4'-P-C4' energy: -69.735 flat angles P-C4'-P energy: -31.085 tors. eta vs tors. theta energy: -46.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -560.069277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.069277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.069277 (E_RNA) where: Base-Base interactions energy: -297.503 where: short stacking energy: -160.783 Base-Backbone interact. energy: -0.326 local terms energy: -262.239981 where: bonds (distance) C4'-P energy: -72.873 bonds (distance) P-C4' energy: -67.838 flat angles C4'-P-C4' energy: -64.954 flat angles P-C4'-P energy: -45.666 tors. eta vs tors. theta energy: -10.908 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: 9, replica: 5 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -436.743215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.743215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.743215 (E_RNA) where: Base-Base interactions energy: -205.912 where: short stacking energy: -149.729 Base-Backbone interact. energy: -1.770 local terms energy: -229.061321 where: bonds (distance) C4'-P energy: -60.227 bonds (distance) P-C4' energy: -71.038 flat angles C4'-P-C4' energy: -55.594 flat angles P-C4'-P energy: -36.830 tors. eta vs tors. theta energy: -5.373 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: 6 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -440.648476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.648476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.648476 (E_RNA) where: Base-Base interactions energy: -259.912 where: short stacking energy: -133.165 Base-Backbone interact. energy: -0.050 local terms energy: -180.686148 where: bonds (distance) C4'-P energy: -54.513 bonds (distance) P-C4' energy: -54.687 flat angles C4'-P-C4' energy: -36.869 flat angles P-C4'-P energy: -36.885 tors. eta vs tors. theta energy: 2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1351.706774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.706774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.706774 (E_RNA) where: Base-Base interactions energy: -917.868 where: short stacking energy: -426.842 Base-Backbone interact. energy: -0.803 local terms energy: -433.035990 where: bonds (distance) C4'-P energy: -77.737 bonds (distance) P-C4' energy: -84.622 flat angles C4'-P-C4' energy: -91.474 flat angles P-C4'-P energy: -56.199 tors. eta vs tors. theta energy: -123.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1196.107020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.107020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.107020 (E_RNA) where: Base-Base interactions energy: -782.709 where: short stacking energy: -353.224 Base-Backbone interact. energy: 1.365 local terms energy: -414.763198 where: bonds (distance) C4'-P energy: -79.335 bonds (distance) P-C4' energy: -78.025 flat angles C4'-P-C4' energy: -89.179 flat angles P-C4'-P energy: -64.249 tors. eta vs tors. theta energy: -103.975 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: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1216.666070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.666070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.666070 (E_RNA) where: Base-Base interactions energy: -819.052 where: short stacking energy: -352.269 Base-Backbone interact. energy: -2.824 local terms energy: -394.790212 where: bonds (distance) C4'-P energy: -76.704 bonds (distance) P-C4' energy: -73.181 flat angles C4'-P-C4' energy: -82.975 flat angles P-C4'-P energy: -57.337 tors. eta vs tors. theta energy: -104.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1044.379676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.379676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.379676 (E_RNA) where: Base-Base interactions energy: -690.286 where: short stacking energy: -297.761 Base-Backbone interact. energy: -2.325 local terms energy: -351.768798 where: bonds (distance) C4'-P energy: -78.051 bonds (distance) P-C4' energy: -77.649 flat angles C4'-P-C4' energy: -74.650 flat angles P-C4'-P energy: -55.062 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: 5, replica: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1019.785842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.785842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.785842 (E_RNA) where: Base-Base interactions energy: -663.026 where: short stacking energy: -281.866 Base-Backbone interact. energy: 3.369 local terms energy: -360.129300 where: bonds (distance) C4'-P energy: -61.200 bonds (distance) P-C4' energy: -74.478 flat angles C4'-P-C4' energy: -80.143 flat angles P-C4'-P energy: -53.735 tors. eta vs tors. theta energy: -90.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -826.758128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.758128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.758128 (E_RNA) where: Base-Base interactions energy: -489.031 where: short stacking energy: -245.288 Base-Backbone interact. energy: -1.719 local terms energy: -336.008073 where: bonds (distance) C4'-P energy: -76.334 bonds (distance) P-C4' energy: -72.295 flat angles C4'-P-C4' energy: -80.343 flat angles P-C4'-P energy: -47.000 tors. eta vs tors. theta energy: -60.035 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: 7, replica: 10 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -734.534144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.534144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.534144 (E_RNA) where: Base-Base interactions energy: -428.057 where: short stacking energy: -204.921 Base-Backbone interact. energy: -1.223 local terms energy: -305.254891 where: bonds (distance) C4'-P energy: -74.699 bonds (distance) P-C4' energy: -69.066 flat angles C4'-P-C4' energy: -74.422 flat angles P-C4'-P energy: -44.308 tors. eta vs tors. theta energy: -42.759 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: 4 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -543.585123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.585123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.585123 (E_RNA) where: Base-Base interactions energy: -298.300 where: short stacking energy: -139.711 Base-Backbone interact. energy: 0.074 local terms energy: -245.358944 where: bonds (distance) C4'-P energy: -52.850 bonds (distance) P-C4' energy: -79.641 flat angles C4'-P-C4' energy: -60.410 flat angles P-C4'-P energy: -37.313 tors. eta vs tors. theta energy: -15.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -407.903819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.903819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.903819 (E_RNA) where: Base-Base interactions energy: -171.920 where: short stacking energy: -99.868 Base-Backbone interact. energy: -2.772 local terms energy: -233.211718 where: bonds (distance) C4'-P energy: -67.799 bonds (distance) P-C4' energy: -70.913 flat angles C4'-P-C4' energy: -63.872 flat angles P-C4'-P energy: -34.201 tors. eta vs tors. theta energy: 3.573 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: 6 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -408.322200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.322200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.322200 (E_RNA) where: Base-Base interactions energy: -212.888 where: short stacking energy: -98.785 Base-Backbone interact. energy: -1.567 local terms energy: -193.867441 where: bonds (distance) C4'-P energy: -51.570 bonds (distance) P-C4' energy: -71.166 flat angles C4'-P-C4' energy: -57.424 flat angles P-C4'-P energy: -22.592 tors. eta vs tors. theta energy: 8.885 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: 1, replica: 7 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1338.597327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.597327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.597327 (E_RNA) where: Base-Base interactions energy: -911.592 where: short stacking energy: -416.012 Base-Backbone interact. energy: 0.083 local terms energy: -427.088660 where: bonds (distance) C4'-P energy: -71.532 bonds (distance) P-C4' energy: -86.090 flat angles C4'-P-C4' energy: -87.766 flat angles P-C4'-P energy: -61.442 tors. eta vs tors. theta energy: -120.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1213.059646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.059646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.059646 (E_RNA) where: Base-Base interactions energy: -824.114 where: short stacking energy: -387.429 Base-Backbone interact. energy: 0.776 local terms energy: -389.721330 where: bonds (distance) C4'-P energy: -59.556 bonds (distance) P-C4' energy: -82.375 flat angles C4'-P-C4' energy: -89.213 flat angles P-C4'-P energy: -49.949 tors. eta vs tors. theta energy: -108.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1220.265900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.265900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.265900 (E_RNA) where: Base-Base interactions energy: -801.405 where: short stacking energy: -371.291 Base-Backbone interact. energy: -1.425 local terms energy: -417.435852 where: bonds (distance) C4'-P energy: -81.688 bonds (distance) P-C4' energy: -82.322 flat angles C4'-P-C4' energy: -87.498 flat angles P-C4'-P energy: -55.428 tors. eta vs tors. theta energy: -110.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1072.262418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.262418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.262418 (E_RNA) where: Base-Base interactions energy: -699.804 where: short stacking energy: -354.627 Base-Backbone interact. energy: -1.960 local terms energy: -370.497898 where: bonds (distance) C4'-P energy: -64.224 bonds (distance) P-C4' energy: -77.015 flat angles C4'-P-C4' energy: -79.685 flat angles P-C4'-P energy: -52.419 tors. eta vs tors. theta energy: -97.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1007.650252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.650252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.650252 (E_RNA) where: Base-Base interactions energy: -684.014 where: short stacking energy: -283.754 Base-Backbone interact. energy: 0.098 local terms energy: -323.733993 where: bonds (distance) C4'-P energy: -68.474 bonds (distance) P-C4' energy: -71.986 flat angles C4'-P-C4' energy: -78.785 flat angles P-C4'-P energy: -40.112 tors. eta vs tors. theta energy: -64.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -748.126037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.126037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.126037 (E_RNA) where: Base-Base interactions energy: -454.199 where: short stacking energy: -227.673 Base-Backbone interact. energy: -1.582 local terms energy: -292.344913 where: bonds (distance) C4'-P energy: -73.484 bonds (distance) P-C4' energy: -65.092 flat angles C4'-P-C4' energy: -61.417 flat angles P-C4'-P energy: -48.386 tors. eta vs tors. theta energy: -43.966 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: 7, replica: 8 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -763.785622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.785622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.785622 (E_RNA) where: Base-Base interactions energy: -473.063 where: short stacking energy: -214.414 Base-Backbone interact. energy: -1.647 local terms energy: -289.076142 where: bonds (distance) C4'-P energy: -55.643 bonds (distance) P-C4' energy: -73.897 flat angles C4'-P-C4' energy: -70.868 flat angles P-C4'-P energy: -46.955 tors. eta vs tors. theta energy: -41.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -584.798419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.798419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.798419 (E_RNA) where: Base-Base interactions energy: -308.317 where: short stacking energy: -174.790 Base-Backbone interact. energy: -0.372 local terms energy: -276.110132 where: bonds (distance) C4'-P energy: -67.032 bonds (distance) P-C4' energy: -65.145 flat angles C4'-P-C4' energy: -63.778 flat angles P-C4'-P energy: -46.589 tors. eta vs tors. theta energy: -33.566 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: 5 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -428.602522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.602522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.602522 (E_RNA) where: Base-Base interactions energy: -188.098 where: short stacking energy: -141.429 Base-Backbone interact. energy: 0.647 local terms energy: -241.151023 where: bonds (distance) C4'-P energy: -51.461 bonds (distance) P-C4' energy: -71.533 flat angles C4'-P-C4' energy: -61.123 flat angles P-C4'-P energy: -43.989 tors. eta vs tors. theta energy: -13.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -322.603737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.603737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.603737 (E_RNA) where: Base-Base interactions energy: -128.615 where: short stacking energy: -95.704 Base-Backbone interact. energy: -0.665 local terms energy: -193.323697 where: bonds (distance) C4'-P energy: -61.088 bonds (distance) P-C4' energy: -68.548 flat angles C4'-P-C4' energy: -51.563 flat angles P-C4'-P energy: -21.902 tors. eta vs tors. theta energy: 9.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1333.626643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.626643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.626643 (E_RNA) where: Base-Base interactions energy: -903.966 where: short stacking energy: -409.831 Base-Backbone interact. energy: -1.515 local terms energy: -428.146138 where: bonds (distance) C4'-P energy: -73.858 bonds (distance) P-C4' energy: -83.050 flat angles C4'-P-C4' energy: -95.204 flat angles P-C4'-P energy: -52.915 tors. eta vs tors. theta energy: -123.119 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: 9 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1214.751091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.751091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.751091 (E_RNA) where: Base-Base interactions energy: -815.360 where: short stacking energy: -356.952 Base-Backbone interact. energy: -2.340 local terms energy: -397.050647 where: bonds (distance) C4'-P energy: -74.558 bonds (distance) P-C4' energy: -82.707 flat angles C4'-P-C4' energy: -75.484 flat angles P-C4'-P energy: -63.343 tors. eta vs tors. theta energy: -100.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1217.309158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.309158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.309158 (E_RNA) where: Base-Base interactions energy: -818.985 where: short stacking energy: -361.691 Base-Backbone interact. energy: -1.354 local terms energy: -396.970399 where: bonds (distance) C4'-P energy: -69.520 bonds (distance) P-C4' energy: -77.877 flat angles C4'-P-C4' energy: -85.497 flat angles P-C4'-P energy: -51.608 tors. eta vs tors. theta energy: -112.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1036.553036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.553036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.553036 (E_RNA) where: Base-Base interactions energy: -681.481 where: short stacking energy: -316.927 Base-Backbone interact. energy: -0.073 local terms energy: -354.999277 where: bonds (distance) C4'-P energy: -62.913 bonds (distance) P-C4' energy: -65.730 flat angles C4'-P-C4' energy: -77.955 flat angles P-C4'-P energy: -58.758 tors. eta vs tors. theta energy: -89.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1022.303324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.303324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.303324 (E_RNA) where: Base-Base interactions energy: -693.778 where: short stacking energy: -286.100 Base-Backbone interact. energy: 0.879 local terms energy: -329.403936 where: bonds (distance) C4'-P energy: -71.275 bonds (distance) P-C4' energy: -66.313 flat angles C4'-P-C4' energy: -74.033 flat angles P-C4'-P energy: -48.123 tors. eta vs tors. theta energy: -69.659 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: 10 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -760.012015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.012015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.012015 (E_RNA) where: Base-Base interactions energy: -467.634 where: short stacking energy: -223.832 Base-Backbone interact. energy: 0.588 local terms energy: -292.965983 where: bonds (distance) C4'-P energy: -70.267 bonds (distance) P-C4' energy: -77.706 flat angles C4'-P-C4' energy: -61.873 flat angles P-C4'-P energy: -36.771 tors. eta vs tors. theta energy: -46.349 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: 8 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -748.055693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.055693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.055693 (E_RNA) where: Base-Base interactions energy: -455.441 where: short stacking energy: -209.425 Base-Backbone interact. energy: 1.112 local terms energy: -293.726134 where: bonds (distance) C4'-P energy: -76.544 bonds (distance) P-C4' energy: -58.987 flat angles C4'-P-C4' energy: -63.513 flat angles P-C4'-P energy: -48.839 tors. eta vs tors. theta energy: -45.844 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: 4 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -600.910879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.910879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.910879 (E_RNA) where: Base-Base interactions energy: -327.211 where: short stacking energy: -173.093 Base-Backbone interact. energy: 0.066 local terms energy: -273.765892 where: bonds (distance) C4'-P energy: -68.958 bonds (distance) P-C4' energy: -70.009 flat angles C4'-P-C4' energy: -72.118 flat angles P-C4'-P energy: -39.708 tors. eta vs tors. theta energy: -22.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -400.377915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.377915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.377915 (E_RNA) where: Base-Base interactions energy: -155.885 where: short stacking energy: -98.538 Base-Backbone interact. energy: -1.457 local terms energy: -243.035938 where: bonds (distance) C4'-P energy: -70.727 bonds (distance) P-C4' energy: -88.986 flat angles C4'-P-C4' energy: -37.749 flat angles P-C4'-P energy: -40.036 tors. eta vs tors. theta energy: -5.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -339.222673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.222673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.222673 (E_RNA) where: Base-Base interactions energy: -135.149 where: short stacking energy: -116.622 Base-Backbone interact. energy: 2.509 local terms energy: -206.582678 where: bonds (distance) C4'-P energy: -65.993 bonds (distance) P-C4' energy: -60.445 flat angles C4'-P-C4' energy: -53.823 flat angles P-C4'-P energy: -35.825 tors. eta vs tors. theta energy: 9.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1337.059075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.059075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.059075 (E_RNA) where: Base-Base interactions energy: -906.581 where: short stacking energy: -399.824 Base-Backbone interact. energy: -2.128 local terms energy: -428.350086 where: bonds (distance) C4'-P energy: -75.878 bonds (distance) P-C4' energy: -81.808 flat angles C4'-P-C4' energy: -89.493 flat angles P-C4'-P energy: -59.596 tors. eta vs tors. theta energy: -121.575 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: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1264.587591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.587591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.587591 (E_RNA) where: Base-Base interactions energy: -832.370 where: short stacking energy: -377.980 Base-Backbone interact. energy: -2.656 local terms energy: -429.562122 where: bonds (distance) C4'-P energy: -77.258 bonds (distance) P-C4' energy: -82.488 flat angles C4'-P-C4' energy: -82.552 flat angles P-C4'-P energy: -67.065 tors. eta vs tors. theta energy: -120.198 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: 9 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1160.681788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.681788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.681788 (E_RNA) where: Base-Base interactions energy: -766.709 where: short stacking energy: -362.386 Base-Backbone interact. energy: -1.272 local terms energy: -392.700585 where: bonds (distance) C4'-P energy: -77.484 bonds (distance) P-C4' energy: -71.660 flat angles C4'-P-C4' energy: -92.659 flat angles P-C4'-P energy: -50.489 tors. eta vs tors. theta energy: -100.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1037.118976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.118976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.118976 (E_RNA) where: Base-Base interactions energy: -701.603 where: short stacking energy: -298.763 Base-Backbone interact. energy: -1.361 local terms energy: -334.155418 where: bonds (distance) C4'-P energy: -64.031 bonds (distance) P-C4' energy: -74.448 flat angles C4'-P-C4' energy: -74.913 flat angles P-C4'-P energy: -50.405 tors. eta vs tors. theta energy: -70.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -990.540817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.540817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.540817 (E_RNA) where: Base-Base interactions energy: -633.031 where: short stacking energy: -292.572 Base-Backbone interact. energy: -1.064 local terms energy: -356.445807 where: bonds (distance) C4'-P energy: -72.077 bonds (distance) P-C4' energy: -72.416 flat angles C4'-P-C4' energy: -82.105 flat angles P-C4'-P energy: -50.785 tors. eta vs tors. theta energy: -79.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -831.606596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.606596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.606596 (E_RNA) where: Base-Base interactions energy: -522.585 where: short stacking energy: -259.215 Base-Backbone interact. energy: -1.566 local terms energy: -307.454701 where: bonds (distance) C4'-P energy: -68.718 bonds (distance) P-C4' energy: -62.528 flat angles C4'-P-C4' energy: -66.579 flat angles P-C4'-P energy: -47.455 tors. eta vs tors. theta energy: -62.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -752.323606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.323606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.323606 (E_RNA) where: Base-Base interactions energy: -451.115 where: short stacking energy: -214.442 Base-Backbone interact. energy: -1.044 local terms energy: -300.164555 where: bonds (distance) C4'-P energy: -64.552 bonds (distance) P-C4' energy: -66.928 flat angles C4'-P-C4' energy: -79.236 flat angles P-C4'-P energy: -32.681 tors. eta vs tors. theta energy: -56.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -616.904886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.904886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.904886 (E_RNA) where: Base-Base interactions energy: -382.211 where: short stacking energy: -181.109 Base-Backbone interact. energy: -2.086 local terms energy: -232.607759 where: bonds (distance) C4'-P energy: -63.819 bonds (distance) P-C4' energy: -70.550 flat angles C4'-P-C4' energy: -55.620 flat angles P-C4'-P energy: -29.794 tors. eta vs tors. theta energy: -12.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -463.027141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.027141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.027141 (E_RNA) where: Base-Base interactions energy: -223.262 where: short stacking energy: -132.808 Base-Backbone interact. energy: -0.453 local terms energy: -239.312034 where: bonds (distance) C4'-P energy: -62.039 bonds (distance) P-C4' energy: -64.422 flat angles C4'-P-C4' energy: -59.042 flat angles P-C4'-P energy: -41.121 tors. eta vs tors. theta energy: -12.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -339.726025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.726025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.726025 (E_RNA) where: Base-Base interactions energy: -127.932 where: short stacking energy: -115.514 Base-Backbone interact. energy: 4.101 local terms energy: -215.895059 where: bonds (distance) C4'-P energy: -50.636 bonds (distance) P-C4' energy: -55.834 flat angles C4'-P-C4' energy: -73.624 flat angles P-C4'-P energy: -31.728 tors. eta vs tors. theta energy: -4.074 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: 7 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1350.876867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.876867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.876867 (E_RNA) where: Base-Base interactions energy: -914.071 where: short stacking energy: -431.187 Base-Backbone interact. energy: -0.936 local terms energy: -435.869565 where: bonds (distance) C4'-P energy: -73.447 bonds (distance) P-C4' energy: -87.188 flat angles C4'-P-C4' energy: -93.797 flat angles P-C4'-P energy: -63.942 tors. eta vs tors. theta energy: -117.495 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: 2, replica: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1278.130552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.130552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.130552 (E_RNA) where: Base-Base interactions energy: -871.894 where: short stacking energy: -397.177 Base-Backbone interact. energy: -2.199 local terms energy: -404.037871 where: bonds (distance) C4'-P energy: -73.404 bonds (distance) P-C4' energy: -74.421 flat angles C4'-P-C4' energy: -86.799 flat angles P-C4'-P energy: -54.992 tors. eta vs tors. theta energy: -114.422 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: 9 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1154.975532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.975532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.975532 (E_RNA) where: Base-Base interactions energy: -768.129 where: short stacking energy: -367.156 Base-Backbone interact. energy: 1.276 local terms energy: -388.122644 where: bonds (distance) C4'-P energy: -67.276 bonds (distance) P-C4' energy: -76.977 flat angles C4'-P-C4' energy: -86.970 flat angles P-C4'-P energy: -55.465 tors. eta vs tors. theta energy: -101.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1025.091369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.091369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.091369 (E_RNA) where: Base-Base interactions energy: -741.040 where: short stacking energy: -294.643 Base-Backbone interact. energy: 1.023 local terms energy: -285.074755 where: bonds (distance) C4'-P energy: -56.447 bonds (distance) P-C4' energy: -62.391 flat angles C4'-P-C4' energy: -59.382 flat angles P-C4'-P energy: -43.797 tors. eta vs tors. theta energy: -63.057 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: 1 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -935.661262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.661262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.661262 (E_RNA) where: Base-Base interactions energy: -575.690 where: short stacking energy: -293.456 Base-Backbone interact. energy: -0.302 local terms energy: -359.669450 where: bonds (distance) C4'-P energy: -71.016 bonds (distance) P-C4' energy: -79.556 flat angles C4'-P-C4' energy: -75.485 flat angles P-C4'-P energy: -57.902 tors. eta vs tors. theta energy: -75.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -832.566153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.566153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.566153 (E_RNA) where: Base-Base interactions energy: -528.674 where: short stacking energy: -245.892 Base-Backbone interact. energy: 0.205 local terms energy: -304.096239 where: bonds (distance) C4'-P energy: -62.634 bonds (distance) P-C4' energy: -75.295 flat angles C4'-P-C4' energy: -72.123 flat angles P-C4'-P energy: -46.503 tors. eta vs tors. theta energy: -47.541 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: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -752.174092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.174092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.174092 (E_RNA) where: Base-Base interactions energy: -471.832 where: short stacking energy: -213.792 Base-Backbone interact. energy: 1.395 local terms energy: -281.736394 where: bonds (distance) C4'-P energy: -63.468 bonds (distance) P-C4' energy: -59.800 flat angles C4'-P-C4' energy: -58.539 flat angles P-C4'-P energy: -47.623 tors. eta vs tors. theta energy: -52.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -625.753309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.753309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.753309 (E_RNA) where: Base-Base interactions energy: -368.822 where: short stacking energy: -176.372 Base-Backbone interact. energy: 1.319 local terms energy: -258.250356 where: bonds (distance) C4'-P energy: -61.232 bonds (distance) P-C4' energy: -77.614 flat angles C4'-P-C4' energy: -54.332 flat angles P-C4'-P energy: -39.343 tors. eta vs tors. theta energy: -25.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -466.520419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.520419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.520419 (E_RNA) where: Base-Base interactions energy: -271.199 where: short stacking energy: -135.910 Base-Backbone interact. energy: 0.787 local terms energy: -196.109203 where: bonds (distance) C4'-P energy: -47.333 bonds (distance) P-C4' energy: -58.482 flat angles C4'-P-C4' energy: -61.472 flat angles P-C4'-P energy: -19.017 tors. eta vs tors. theta energy: -9.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -312.107018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.107018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.107018 (E_RNA) where: Base-Base interactions energy: -114.178 where: short stacking energy: -97.279 Base-Backbone interact. energy: 0.319 local terms energy: -198.247954 where: bonds (distance) C4'-P energy: -65.168 bonds (distance) P-C4' energy: -59.771 flat angles C4'-P-C4' energy: -63.300 flat angles P-C4'-P energy: -21.348 tors. eta vs tors. theta energy: 11.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1356.358995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.358995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.358995 (E_RNA) where: Base-Base interactions energy: -918.082 where: short stacking energy: -420.440 Base-Backbone interact. energy: -2.765 local terms energy: -435.512168 where: bonds (distance) C4'-P energy: -86.919 bonds (distance) P-C4' energy: -85.049 flat angles C4'-P-C4' energy: -81.448 flat angles P-C4'-P energy: -53.213 tors. eta vs tors. theta energy: -128.883 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: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1285.331587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.331587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.331587 (E_RNA) where: Base-Base interactions energy: -891.864 where: short stacking energy: -402.382 Base-Backbone interact. energy: 0.124 local terms energy: -393.591375 where: bonds (distance) C4'-P energy: -72.361 bonds (distance) P-C4' energy: -79.166 flat angles C4'-P-C4' energy: -71.810 flat angles P-C4'-P energy: -58.284 tors. eta vs tors. theta energy: -111.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1168.462734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.462734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.462734 (E_RNA) where: Base-Base interactions energy: -770.305 where: short stacking energy: -371.805 Base-Backbone interact. energy: -1.669 local terms energy: -396.488339 where: bonds (distance) C4'-P energy: -75.292 bonds (distance) P-C4' energy: -78.221 flat angles C4'-P-C4' energy: -85.801 flat angles P-C4'-P energy: -54.804 tors. eta vs tors. theta energy: -102.370 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: 3 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1014.531675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.531675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.531675 (E_RNA) where: Base-Base interactions energy: -696.455 where: short stacking energy: -289.579 Base-Backbone interact. energy: -2.418 local terms energy: -315.658702 where: bonds (distance) C4'-P energy: -63.784 bonds (distance) P-C4' energy: -67.326 flat angles C4'-P-C4' energy: -79.364 flat angles P-C4'-P energy: -41.381 tors. eta vs tors. theta energy: -63.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -981.147552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.147552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.147552 (E_RNA) where: Base-Base interactions energy: -627.199 where: short stacking energy: -291.758 Base-Backbone interact. energy: -1.440 local terms energy: -352.508045 where: bonds (distance) C4'-P energy: -76.851 bonds (distance) P-C4' energy: -75.366 flat angles C4'-P-C4' energy: -70.747 flat angles P-C4'-P energy: -46.759 tors. eta vs tors. theta energy: -82.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -822.818406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.818406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.818406 (E_RNA) where: Base-Base interactions energy: -524.722 where: short stacking energy: -225.345 Base-Backbone interact. energy: -2.409 local terms energy: -295.686706 where: bonds (distance) C4'-P energy: -64.402 bonds (distance) P-C4' energy: -64.142 flat angles C4'-P-C4' energy: -66.044 flat angles P-C4'-P energy: -44.602 tors. eta vs tors. theta energy: -56.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -780.973899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.973899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.973899 (E_RNA) where: Base-Base interactions energy: -499.340 where: short stacking energy: -237.593 Base-Backbone interact. energy: -0.531 local terms energy: -281.103006 where: bonds (distance) C4'-P energy: -49.955 bonds (distance) P-C4' energy: -71.024 flat angles C4'-P-C4' energy: -65.412 flat angles P-C4'-P energy: -39.827 tors. eta vs tors. theta energy: -54.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -647.181690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.181690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.181690 (E_RNA) where: Base-Base interactions energy: -390.507 where: short stacking energy: -197.214 Base-Backbone interact. energy: -0.953 local terms energy: -255.722350 where: bonds (distance) C4'-P energy: -57.909 bonds (distance) P-C4' energy: -77.962 flat angles C4'-P-C4' energy: -52.441 flat angles P-C4'-P energy: -36.458 tors. eta vs tors. theta energy: -30.952 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: 5 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -484.211839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.211839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.211839 (E_RNA) where: Base-Base interactions energy: -236.625 where: short stacking energy: -145.668 Base-Backbone interact. energy: -0.312 local terms energy: -247.274223 where: bonds (distance) C4'-P energy: -64.949 bonds (distance) P-C4' energy: -68.632 flat angles C4'-P-C4' energy: -71.647 flat angles P-C4'-P energy: -31.545 tors. eta vs tors. theta energy: -10.501 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: 6 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -326.473840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.473840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.473840 (E_RNA) where: Base-Base interactions energy: -109.680 where: short stacking energy: -95.908 Base-Backbone interact. energy: 8.021 local terms energy: -224.815002 where: bonds (distance) C4'-P energy: -64.319 bonds (distance) P-C4' energy: -70.859 flat angles C4'-P-C4' energy: -63.151 flat angles P-C4'-P energy: -38.178 tors. eta vs tors. theta energy: 11.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1346.397354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.397354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.397354 (E_RNA) where: Base-Base interactions energy: -918.138 where: short stacking energy: -408.943 Base-Backbone interact. energy: -1.005 local terms energy: -427.254583 where: bonds (distance) C4'-P energy: -71.416 bonds (distance) P-C4' energy: -85.862 flat angles C4'-P-C4' energy: -89.994 flat angles P-C4'-P energy: -55.858 tors. eta vs tors. theta energy: -124.125 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: 2 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1291.548825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.548825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.548825 (E_RNA) where: Base-Base interactions energy: -871.176 where: short stacking energy: -402.547 Base-Backbone interact. energy: -5.015 local terms energy: -415.358262 where: bonds (distance) C4'-P energy: -74.390 bonds (distance) P-C4' energy: -67.886 flat angles C4'-P-C4' energy: -89.949 flat angles P-C4'-P energy: -59.660 tors. eta vs tors. theta energy: -123.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1165.787659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.787659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.787659 (E_RNA) where: Base-Base interactions energy: -768.657 where: short stacking energy: -351.997 Base-Backbone interact. energy: -3.232 local terms energy: -393.899427 where: bonds (distance) C4'-P energy: -76.056 bonds (distance) P-C4' energy: -84.073 flat angles C4'-P-C4' energy: -73.398 flat angles P-C4'-P energy: -54.005 tors. eta vs tors. theta energy: -106.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1010.186335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.186335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.186335 (E_RNA) where: Base-Base interactions energy: -688.197 where: short stacking energy: -296.531 Base-Backbone interact. energy: -2.201 local terms energy: -319.788544 where: bonds (distance) C4'-P energy: -75.738 bonds (distance) P-C4' energy: -70.456 flat angles C4'-P-C4' energy: -66.305 flat angles P-C4'-P energy: -43.806 tors. eta vs tors. theta energy: -63.483 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: 1 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -999.241885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.241885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.241885 (E_RNA) where: Base-Base interactions energy: -650.255 where: short stacking energy: -316.617 Base-Backbone interact. energy: -2.071 local terms energy: -346.915914 where: bonds (distance) C4'-P energy: -70.839 bonds (distance) P-C4' energy: -78.560 flat angles C4'-P-C4' energy: -72.755 flat angles P-C4'-P energy: -53.748 tors. eta vs tors. theta energy: -71.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -828.579986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.579986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.579986 (E_RNA) where: Base-Base interactions energy: -517.767 where: short stacking energy: -249.991 Base-Backbone interact. energy: -0.804 local terms energy: -310.009287 where: bonds (distance) C4'-P energy: -63.894 bonds (distance) P-C4' energy: -65.353 flat angles C4'-P-C4' energy: -66.890 flat angles P-C4'-P energy: -52.645 tors. eta vs tors. theta energy: -61.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -773.000481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.000481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.000481 (E_RNA) where: Base-Base interactions energy: -481.243 where: short stacking energy: -217.002 Base-Backbone interact. energy: -2.149 local terms energy: -289.608946 where: bonds (distance) C4'-P energy: -64.928 bonds (distance) P-C4' energy: -74.329 flat angles C4'-P-C4' energy: -67.203 flat angles P-C4'-P energy: -33.946 tors. eta vs tors. theta energy: -49.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -692.829559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.829559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.829559 (E_RNA) where: Base-Base interactions energy: -415.803 where: short stacking energy: -202.174 Base-Backbone interact. energy: 0.566 local terms energy: -277.593218 where: bonds (distance) C4'-P energy: -60.538 bonds (distance) P-C4' energy: -74.252 flat angles C4'-P-C4' energy: -67.099 flat angles P-C4'-P energy: -41.408 tors. eta vs tors. theta energy: -34.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -490.261915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.261915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.261915 (E_RNA) where: Base-Base interactions energy: -248.557 where: short stacking energy: -140.772 Base-Backbone interact. energy: -1.686 local terms energy: -240.018615 where: bonds (distance) C4'-P energy: -52.997 bonds (distance) P-C4' energy: -65.087 flat angles C4'-P-C4' energy: -62.172 flat angles P-C4'-P energy: -40.764 tors. eta vs tors. theta energy: -18.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -319.368821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.368821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.368821 (E_RNA) where: Base-Base interactions energy: -99.493 where: short stacking energy: -88.866 Base-Backbone interact. energy: 1.864 local terms energy: -221.740017 where: bonds (distance) C4'-P energy: -75.895 bonds (distance) P-C4' energy: -54.150 flat angles C4'-P-C4' energy: -70.668 flat angles P-C4'-P energy: -33.139 tors. eta vs tors. theta energy: 12.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1352.598753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.598753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.598753 (E_RNA) where: Base-Base interactions energy: -933.665 where: short stacking energy: -412.480 Base-Backbone interact. energy: -0.382 local terms energy: -418.551352 where: bonds (distance) C4'-P energy: -80.882 bonds (distance) P-C4' energy: -74.125 flat angles C4'-P-C4' energy: -82.550 flat angles P-C4'-P energy: -61.074 tors. eta vs tors. theta energy: -119.921 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: 39 Temperature: 0.950000 Total energy: -1294.197199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.197199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.197199 (E_RNA) where: Base-Base interactions energy: -866.224 where: short stacking energy: -387.304 Base-Backbone interact. energy: -2.205 local terms energy: -425.767803 where: bonds (distance) C4'-P energy: -77.243 bonds (distance) P-C4' energy: -74.757 flat angles C4'-P-C4' energy: -88.979 flat angles P-C4'-P energy: -62.413 tors. eta vs tors. theta energy: -122.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1150.903947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.903947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.903947 (E_RNA) where: Base-Base interactions energy: -775.251 where: short stacking energy: -336.767 Base-Backbone interact. energy: -1.983 local terms energy: -373.669956 where: bonds (distance) C4'-P energy: -79.844 bonds (distance) P-C4' energy: -62.656 flat angles C4'-P-C4' energy: -79.628 flat angles P-C4'-P energy: -58.634 tors. eta vs tors. theta energy: -92.908 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: 4, replica: 1 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -997.503039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.503039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.503039 (E_RNA) where: Base-Base interactions energy: -654.393 where: short stacking energy: -283.207 Base-Backbone interact. energy: -2.007 local terms energy: -341.103290 where: bonds (distance) C4'-P energy: -68.810 bonds (distance) P-C4' energy: -67.061 flat angles C4'-P-C4' energy: -77.171 flat angles P-C4'-P energy: -56.653 tors. eta vs tors. theta energy: -71.407 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: 3 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -997.495743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.495743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.495743 (E_RNA) where: Base-Base interactions energy: -675.115 where: short stacking energy: -283.453 Base-Backbone interact. energy: 0.626 local terms energy: -323.006939 where: bonds (distance) C4'-P energy: -60.951 bonds (distance) P-C4' energy: -74.019 flat angles C4'-P-C4' energy: -62.950 flat angles P-C4'-P energy: -52.238 tors. eta vs tors. theta energy: -72.849 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: 10 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -834.563519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.563519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.563519 (E_RNA) where: Base-Base interactions energy: -526.728 where: short stacking energy: -255.079 Base-Backbone interact. energy: -1.350 local terms energy: -306.485354 where: bonds (distance) C4'-P energy: -68.764 bonds (distance) P-C4' energy: -69.866 flat angles C4'-P-C4' energy: -56.965 flat angles P-C4'-P energy: -53.457 tors. eta vs tors. theta energy: -57.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -770.051597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.051597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.051597 (E_RNA) where: Base-Base interactions energy: -492.186 where: short stacking energy: -237.165 Base-Backbone interact. energy: -1.607 local terms energy: -276.258864 where: bonds (distance) C4'-P energy: -58.485 bonds (distance) P-C4' energy: -68.637 flat angles C4'-P-C4' energy: -64.113 flat angles P-C4'-P energy: -32.768 tors. eta vs tors. theta energy: -52.257 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: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -639.924048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.924048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.924048 (E_RNA) where: Base-Base interactions energy: -371.524 where: short stacking energy: -179.463 Base-Backbone interact. energy: -1.116 local terms energy: -267.283565 where: bonds (distance) C4'-P energy: -68.660 bonds (distance) P-C4' energy: -63.968 flat angles C4'-P-C4' energy: -68.973 flat angles P-C4'-P energy: -40.848 tors. eta vs tors. theta energy: -24.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -533.403811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.403811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.403811 (E_RNA) where: Base-Base interactions energy: -274.657 where: short stacking energy: -134.155 Base-Backbone interact. energy: 2.356 local terms energy: -261.103055 where: bonds (distance) C4'-P energy: -64.782 bonds (distance) P-C4' energy: -67.579 flat angles C4'-P-C4' energy: -76.163 flat angles P-C4'-P energy: -36.781 tors. eta vs tors. theta energy: -15.798 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: 10, replica: 6 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -306.545897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.545897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.545897 (E_RNA) where: Base-Base interactions energy: -108.128 where: short stacking energy: -91.260 Base-Backbone interact. energy: -1.720 local terms energy: -196.697748 where: bonds (distance) C4'-P energy: -58.367 bonds (distance) P-C4' energy: -69.855 flat angles C4'-P-C4' energy: -53.292 flat angles P-C4'-P energy: -18.772 tors. eta vs tors. theta energy: 3.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1374.882956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.882956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.882956 (E_RNA) where: Base-Base interactions energy: -942.100 where: short stacking energy: -413.215 Base-Backbone interact. energy: -3.427 local terms energy: -429.355362 where: bonds (distance) C4'-P energy: -72.184 bonds (distance) P-C4' energy: -82.571 flat angles C4'-P-C4' energy: -93.417 flat angles P-C4'-P energy: -63.044 tors. eta vs tors. theta energy: -118.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1276.340200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.340200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.340200 (E_RNA) where: Base-Base interactions energy: -860.847 where: short stacking energy: -376.158 Base-Backbone interact. energy: -2.448 local terms energy: -413.045653 where: bonds (distance) C4'-P energy: -77.406 bonds (distance) P-C4' energy: -70.286 flat angles C4'-P-C4' energy: -90.519 flat angles P-C4'-P energy: -54.807 tors. eta vs tors. theta energy: -120.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1159.280150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.280150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.280150 (E_RNA) where: Base-Base interactions energy: -773.903 where: short stacking energy: -358.090 Base-Backbone interact. energy: -0.266 local terms energy: -385.110262 where: bonds (distance) C4'-P energy: -76.977 bonds (distance) P-C4' energy: -75.219 flat angles C4'-P-C4' energy: -85.613 flat angles P-C4'-P energy: -53.038 tors. eta vs tors. theta energy: -94.263 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: 4, replica: 1 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1049.380924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.380924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.380924 (E_RNA) where: Base-Base interactions energy: -685.407 where: short stacking energy: -314.628 Base-Backbone interact. energy: -3.118 local terms energy: -360.856217 where: bonds (distance) C4'-P energy: -61.118 bonds (distance) P-C4' energy: -77.411 flat angles C4'-P-C4' energy: -81.524 flat angles P-C4'-P energy: -54.930 tors. eta vs tors. theta energy: -85.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -985.010982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.010982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.010982 (E_RNA) where: Base-Base interactions energy: -665.783 where: short stacking energy: -311.302 Base-Backbone interact. energy: 1.330 local terms energy: -320.558229 where: bonds (distance) C4'-P energy: -62.179 bonds (distance) P-C4' energy: -55.214 flat angles C4'-P-C4' energy: -83.173 flat angles P-C4'-P energy: -42.559 tors. eta vs tors. theta energy: -77.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -817.127886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.127886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.127886 (E_RNA) where: Base-Base interactions energy: -500.384 where: short stacking energy: -246.215 Base-Backbone interact. energy: -1.548 local terms energy: -315.195807 where: bonds (distance) C4'-P energy: -67.962 bonds (distance) P-C4' energy: -67.689 flat angles C4'-P-C4' energy: -74.205 flat angles P-C4'-P energy: -50.479 tors. eta vs tors. theta energy: -54.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -752.891390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.891390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.891390 (E_RNA) where: Base-Base interactions energy: -495.030 where: short stacking energy: -221.121 Base-Backbone interact. energy: -2.103 local terms energy: -255.758125 where: bonds (distance) C4'-P energy: -55.633 bonds (distance) P-C4' energy: -67.293 flat angles C4'-P-C4' energy: -75.595 flat angles P-C4'-P energy: -32.911 tors. eta vs tors. theta energy: -24.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -513.216756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.216756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.216756 (E_RNA) where: Base-Base interactions energy: -242.985 where: short stacking energy: -138.319 Base-Backbone interact. energy: 0.588 local terms energy: -270.819768 where: bonds (distance) C4'-P energy: -65.244 bonds (distance) P-C4' energy: -68.578 flat angles C4'-P-C4' energy: -67.155 flat angles P-C4'-P energy: -55.075 tors. eta vs tors. theta energy: -14.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -549.420948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.420948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.420948 (E_RNA) where: Base-Base interactions energy: -295.912 where: short stacking energy: -169.088 Base-Backbone interact. energy: 1.909 local terms energy: -255.418668 where: bonds (distance) C4'-P energy: -69.806 bonds (distance) P-C4' energy: -46.433 flat angles C4'-P-C4' energy: -64.648 flat angles P-C4'-P energy: -46.357 tors. eta vs tors. theta energy: -28.175 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: 6 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -359.276987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.276987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.276987 (E_RNA) where: Base-Base interactions energy: -150.471 where: short stacking energy: -104.952 Base-Backbone interact. energy: 0.946 local terms energy: -209.751764 where: bonds (distance) C4'-P energy: -58.445 bonds (distance) P-C4' energy: -71.941 flat angles C4'-P-C4' energy: -57.746 flat angles P-C4'-P energy: -28.941 tors. eta vs tors. theta energy: 7.321 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: 7 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1370.531411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.531411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.531411 (E_RNA) where: Base-Base interactions energy: -940.526 where: short stacking energy: -436.110 Base-Backbone interact. energy: -1.753 local terms energy: -428.252240 where: bonds (distance) C4'-P energy: -82.271 bonds (distance) P-C4' energy: -73.760 flat angles C4'-P-C4' energy: -88.931 flat angles P-C4'-P energy: -53.185 tors. eta vs tors. theta energy: -130.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1246.279691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.279691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.279691 (E_RNA) where: Base-Base interactions energy: -833.132 where: short stacking energy: -386.284 Base-Backbone interact. energy: -2.475 local terms energy: -410.672394 where: bonds (distance) C4'-P energy: -74.517 bonds (distance) P-C4' energy: -89.489 flat angles C4'-P-C4' energy: -83.437 flat angles P-C4'-P energy: -53.891 tors. eta vs tors. theta energy: -109.339 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: 3, replica: 9 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1166.041602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.041602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.041602 (E_RNA) where: Base-Base interactions energy: -791.052 where: short stacking energy: -353.409 Base-Backbone interact. energy: -1.212 local terms energy: -373.778049 where: bonds (distance) C4'-P energy: -74.081 bonds (distance) P-C4' energy: -70.745 flat angles C4'-P-C4' energy: -85.749 flat angles P-C4'-P energy: -40.051 tors. eta vs tors. theta energy: -103.151 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: 4, replica: 1 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1050.408596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.408596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.408596 (E_RNA) where: Base-Base interactions energy: -669.531 where: short stacking energy: -338.469 Base-Backbone interact. energy: -0.487 local terms energy: -380.390673 where: bonds (distance) C4'-P energy: -71.086 bonds (distance) P-C4' energy: -69.162 flat angles C4'-P-C4' energy: -83.617 flat angles P-C4'-P energy: -55.416 tors. eta vs tors. theta energy: -101.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1031.041777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.041777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.041777 (E_RNA) where: Base-Base interactions energy: -689.250 where: short stacking energy: -304.704 Base-Backbone interact. energy: -1.404 local terms energy: -340.387925 where: bonds (distance) C4'-P energy: -68.370 bonds (distance) P-C4' energy: -70.015 flat angles C4'-P-C4' energy: -76.953 flat angles P-C4'-P energy: -50.347 tors. eta vs tors. theta energy: -74.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -786.764281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.764281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.764281 (E_RNA) where: Base-Base interactions energy: -499.478 where: short stacking energy: -230.187 Base-Backbone interact. energy: -1.593 local terms energy: -285.693306 where: bonds (distance) C4'-P energy: -56.994 bonds (distance) P-C4' energy: -66.206 flat angles C4'-P-C4' energy: -59.063 flat angles P-C4'-P energy: -42.424 tors. eta vs tors. theta energy: -61.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -747.141875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.141875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.141875 (E_RNA) where: Base-Base interactions energy: -473.817 where: short stacking energy: -229.107 Base-Backbone interact. energy: -0.879 local terms energy: -272.445934 where: bonds (distance) C4'-P energy: -61.225 bonds (distance) P-C4' energy: -62.225 flat angles C4'-P-C4' energy: -65.608 flat angles P-C4'-P energy: -37.424 tors. eta vs tors. theta energy: -45.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -566.564874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.564874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.564874 (E_RNA) where: Base-Base interactions energy: -309.605 where: short stacking energy: -172.031 Base-Backbone interact. energy: -1.538 local terms energy: -255.422303 where: bonds (distance) C4'-P energy: -74.682 bonds (distance) P-C4' energy: -66.381 flat angles C4'-P-C4' energy: -62.211 flat angles P-C4'-P energy: -36.840 tors. eta vs tors. theta energy: -15.308 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: 4 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -535.412445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.412445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.412445 (E_RNA) where: Base-Base interactions energy: -273.207 where: short stacking energy: -138.122 Base-Backbone interact. energy: -0.914 local terms energy: -261.290901 where: bonds (distance) C4'-P energy: -69.284 bonds (distance) P-C4' energy: -77.481 flat angles C4'-P-C4' energy: -64.933 flat angles P-C4'-P energy: -41.765 tors. eta vs tors. theta energy: -7.830 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: 10, replica: 6 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -317.148770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.148770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.148770 (E_RNA) where: Base-Base interactions energy: -110.003 where: short stacking energy: -107.914 Base-Backbone interact. energy: -2.015 local terms energy: -205.130843 where: bonds (distance) C4'-P energy: -74.462 bonds (distance) P-C4' energy: -64.286 flat angles C4'-P-C4' energy: -46.567 flat angles P-C4'-P energy: -29.037 tors. eta vs tors. theta energy: 9.222 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: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1357.155529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.155529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.155529 (E_RNA) where: Base-Base interactions energy: -923.168 where: short stacking energy: -422.224 Base-Backbone interact. energy: -1.667 local terms energy: -432.319829 where: bonds (distance) C4'-P energy: -80.651 bonds (distance) P-C4' energy: -83.087 flat angles C4'-P-C4' energy: -84.567 flat angles P-C4'-P energy: -56.216 tors. eta vs tors. theta energy: -127.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1280.852841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.852841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.852841 (E_RNA) where: Base-Base interactions energy: -870.969 where: short stacking energy: -399.476 Base-Backbone interact. energy: -2.963 local terms energy: -406.920486 where: bonds (distance) C4'-P energy: -79.631 bonds (distance) P-C4' energy: -76.154 flat angles C4'-P-C4' energy: -89.595 flat angles P-C4'-P energy: -53.548 tors. eta vs tors. theta energy: -107.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1164.373080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.373080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.373080 (E_RNA) where: Base-Base interactions energy: -784.954 where: short stacking energy: -338.114 Base-Backbone interact. energy: 3.351 local terms energy: -382.769788 where: bonds (distance) C4'-P energy: -76.100 bonds (distance) P-C4' energy: -69.674 flat angles C4'-P-C4' energy: -87.413 flat angles P-C4'-P energy: -50.004 tors. eta vs tors. theta energy: -99.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1051.259072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.259072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.259072 (E_RNA) where: Base-Base interactions energy: -707.145 where: short stacking energy: -321.363 Base-Backbone interact. energy: -1.296 local terms energy: -342.818827 where: bonds (distance) C4'-P energy: -72.210 bonds (distance) P-C4' energy: -69.267 flat angles C4'-P-C4' energy: -67.510 flat angles P-C4'-P energy: -40.699 tors. eta vs tors. theta energy: -93.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1041.821517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.821517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.821517 (E_RNA) where: Base-Base interactions energy: -689.846 where: short stacking energy: -315.060 Base-Backbone interact. energy: -2.396 local terms energy: -349.579455 where: bonds (distance) C4'-P energy: -65.523 bonds (distance) P-C4' energy: -69.029 flat angles C4'-P-C4' energy: -75.275 flat angles P-C4'-P energy: -55.386 tors. eta vs tors. theta energy: -84.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -817.954922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.954922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.954922 (E_RNA) where: Base-Base interactions energy: -499.348 where: short stacking energy: -260.121 Base-Backbone interact. energy: -2.007 local terms energy: -316.600680 where: bonds (distance) C4'-P energy: -56.344 bonds (distance) P-C4' energy: -75.177 flat angles C4'-P-C4' energy: -81.809 flat angles P-C4'-P energy: -52.819 tors. eta vs tors. theta energy: -50.452 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: 8 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -734.588248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.588248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.588248 (E_RNA) where: Base-Base interactions energy: -436.858 where: short stacking energy: -220.478 Base-Backbone interact. energy: 0.359 local terms energy: -298.089848 where: bonds (distance) C4'-P energy: -67.828 bonds (distance) P-C4' energy: -59.688 flat angles C4'-P-C4' energy: -80.394 flat angles P-C4'-P energy: -49.560 tors. eta vs tors. theta energy: -40.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -507.993349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.993349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.993349 (E_RNA) where: Base-Base interactions energy: -262.975 where: short stacking energy: -147.690 Base-Backbone interact. energy: -1.559 local terms energy: -243.458863 where: bonds (distance) C4'-P energy: -56.755 bonds (distance) P-C4' energy: -76.122 flat angles C4'-P-C4' energy: -60.333 flat angles P-C4'-P energy: -43.052 tors. eta vs tors. theta energy: -7.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -537.819697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.819697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.819697 (E_RNA) where: Base-Base interactions energy: -301.546 where: short stacking energy: -161.244 Base-Backbone interact. energy: -1.941 local terms energy: -234.332674 where: bonds (distance) C4'-P energy: -66.503 bonds (distance) P-C4' energy: -54.226 flat angles C4'-P-C4' energy: -63.745 flat angles P-C4'-P energy: -27.740 tors. eta vs tors. theta energy: -22.119 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: 10, replica: 6 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -310.551560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.551560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.551560 (E_RNA) where: Base-Base interactions energy: -108.285 where: short stacking energy: -100.579 Base-Backbone interact. energy: -1.283 local terms energy: -200.983760 where: bonds (distance) C4'-P energy: -54.509 bonds (distance) P-C4' energy: -80.017 flat angles C4'-P-C4' energy: -44.940 flat angles P-C4'-P energy: -24.990 tors. eta vs tors. theta energy: 3.472 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: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1356.000742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.000742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.000742 (E_RNA) where: Base-Base interactions energy: -927.104 where: short stacking energy: -417.717 Base-Backbone interact. energy: -0.713 local terms energy: -428.183372 where: bonds (distance) C4'-P energy: -78.276 bonds (distance) P-C4' energy: -76.590 flat angles C4'-P-C4' energy: -88.977 flat angles P-C4'-P energy: -62.596 tors. eta vs tors. theta energy: -121.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1258.945412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.945412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.945412 (E_RNA) where: Base-Base interactions energy: -838.718 where: short stacking energy: -375.136 Base-Backbone interact. energy: -3.275 local terms energy: -416.952515 where: bonds (distance) C4'-P energy: -74.418 bonds (distance) P-C4' energy: -79.494 flat angles C4'-P-C4' energy: -85.031 flat angles P-C4'-P energy: -66.689 tors. eta vs tors. theta energy: -111.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1156.148481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.148481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.148481 (E_RNA) where: Base-Base interactions energy: -767.106 where: short stacking energy: -353.125 Base-Backbone interact. energy: 0.499 local terms energy: -389.541508 where: bonds (distance) C4'-P energy: -80.827 bonds (distance) P-C4' energy: -73.438 flat angles C4'-P-C4' energy: -83.931 flat angles P-C4'-P energy: -57.760 tors. eta vs tors. theta energy: -93.585 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: 1 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1043.194757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.194757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.194757 (E_RNA) where: Base-Base interactions energy: -708.704 where: short stacking energy: -308.244 Base-Backbone interact. energy: 2.119 local terms energy: -336.609444 where: bonds (distance) C4'-P energy: -71.514 bonds (distance) P-C4' energy: -68.205 flat angles C4'-P-C4' energy: -67.383 flat angles P-C4'-P energy: -45.835 tors. eta vs tors. theta energy: -83.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1040.862216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.862216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.862216 (E_RNA) where: Base-Base interactions energy: -694.147 where: short stacking energy: -324.279 Base-Backbone interact. energy: -0.997 local terms energy: -345.718621 where: bonds (distance) C4'-P energy: -73.408 bonds (distance) P-C4' energy: -69.830 flat angles C4'-P-C4' energy: -74.201 flat angles P-C4'-P energy: -39.479 tors. eta vs tors. theta energy: -88.801 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: 8 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -792.460258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.460258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.460258 (E_RNA) where: Base-Base interactions energy: -474.275 where: short stacking energy: -252.217 Base-Backbone interact. energy: -0.454 local terms energy: -317.730737 where: bonds (distance) C4'-P energy: -75.744 bonds (distance) P-C4' energy: -77.568 flat angles C4'-P-C4' energy: -68.802 flat angles P-C4'-P energy: -38.261 tors. eta vs tors. theta energy: -57.356 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: 7, replica: 10 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -754.086330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.086330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.086330 (E_RNA) where: Base-Base interactions energy: -458.880 where: short stacking energy: -233.014 Base-Backbone interact. energy: -3.423 local terms energy: -291.782528 where: bonds (distance) C4'-P energy: -62.544 bonds (distance) P-C4' energy: -75.989 flat angles C4'-P-C4' energy: -56.141 flat angles P-C4'-P energy: -44.276 tors. eta vs tors. theta energy: -52.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -563.647442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.647442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.647442 (E_RNA) where: Base-Base interactions energy: -295.403 where: short stacking energy: -155.801 Base-Backbone interact. energy: -0.814 local terms energy: -267.430309 where: bonds (distance) C4'-P energy: -68.249 bonds (distance) P-C4' energy: -69.893 flat angles C4'-P-C4' energy: -60.451 flat angles P-C4'-P energy: -50.760 tors. eta vs tors. theta energy: -18.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -513.168338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.168338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.168338 (E_RNA) where: Base-Base interactions energy: -277.642 where: short stacking energy: -128.234 Base-Backbone interact. energy: 1.575 local terms energy: -237.101185 where: bonds (distance) C4'-P energy: -76.762 bonds (distance) P-C4' energy: -60.856 flat angles C4'-P-C4' energy: -64.079 flat angles P-C4'-P energy: -22.239 tors. eta vs tors. theta energy: -13.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -316.900075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.900075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.900075 (E_RNA) where: Base-Base interactions energy: -140.081 where: short stacking energy: -107.785 Base-Backbone interact. energy: 1.588 local terms energy: -178.406884 where: bonds (distance) C4'-P energy: -52.536 bonds (distance) P-C4' energy: -61.579 flat angles C4'-P-C4' energy: -49.164 flat angles P-C4'-P energy: -29.148 tors. eta vs tors. theta energy: 14.020 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: 7 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1358.055229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.055229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.055229 (E_RNA) where: Base-Base interactions energy: -921.203 where: short stacking energy: -410.591 Base-Backbone interact. energy: -1.918 local terms energy: -434.934924 where: bonds (distance) C4'-P energy: -83.494 bonds (distance) P-C4' energy: -81.494 flat angles C4'-P-C4' energy: -94.280 flat angles P-C4'-P energy: -56.972 tors. eta vs tors. theta energy: -118.695 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: 2 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1268.545967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.545967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.545967 (E_RNA) where: Base-Base interactions energy: -842.071 where: short stacking energy: -403.839 Base-Backbone interact. energy: -1.835 local terms energy: -424.639657 where: bonds (distance) C4'-P energy: -74.015 bonds (distance) P-C4' energy: -80.680 flat angles C4'-P-C4' energy: -86.632 flat angles P-C4'-P energy: -67.765 tors. eta vs tors. theta energy: -115.546 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: 9 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1180.993272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.993272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.993272 (E_RNA) where: Base-Base interactions energy: -799.831 where: short stacking energy: -354.260 Base-Backbone interact. energy: -3.663 local terms energy: -377.498963 where: bonds (distance) C4'-P energy: -70.971 bonds (distance) P-C4' energy: -76.020 flat angles C4'-P-C4' energy: -81.138 flat angles P-C4'-P energy: -52.262 tors. eta vs tors. theta energy: -97.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1043.693585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.693585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.693585 (E_RNA) where: Base-Base interactions energy: -708.718 where: short stacking energy: -318.010 Base-Backbone interact. energy: -1.094 local terms energy: -333.881412 where: bonds (distance) C4'-P energy: -71.035 bonds (distance) P-C4' energy: -76.475 flat angles C4'-P-C4' energy: -66.226 flat angles P-C4'-P energy: -51.081 tors. eta vs tors. theta energy: -69.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1033.334741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.334741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.334741 (E_RNA) where: Base-Base interactions energy: -695.998 where: short stacking energy: -332.271 Base-Backbone interact. energy: 1.814 local terms energy: -339.150988 where: bonds (distance) C4'-P energy: -61.254 bonds (distance) P-C4' energy: -65.723 flat angles C4'-P-C4' energy: -69.692 flat angles P-C4'-P energy: -53.999 tors. eta vs tors. theta energy: -88.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -788.861468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.861468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.861468 (E_RNA) where: Base-Base interactions energy: -483.255 where: short stacking energy: -236.746 Base-Backbone interact. energy: 7.729 local terms energy: -313.335473 where: bonds (distance) C4'-P energy: -52.186 bonds (distance) P-C4' energy: -76.451 flat angles C4'-P-C4' energy: -85.192 flat angles P-C4'-P energy: -40.784 tors. eta vs tors. theta energy: -58.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -705.618630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.618630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.618630 (E_RNA) where: Base-Base interactions energy: -427.342 where: short stacking energy: -210.390 Base-Backbone interact. energy: -0.013 local terms energy: -278.264297 where: bonds (distance) C4'-P energy: -65.140 bonds (distance) P-C4' energy: -54.849 flat angles C4'-P-C4' energy: -71.848 flat angles P-C4'-P energy: -38.491 tors. eta vs tors. theta energy: -47.937 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: 4 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -545.271976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.271976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.271976 (E_RNA) where: Base-Base interactions energy: -301.058 where: short stacking energy: -153.964 Base-Backbone interact. energy: 3.275 local terms energy: -247.488987 where: bonds (distance) C4'-P energy: -69.337 bonds (distance) P-C4' energy: -69.846 flat angles C4'-P-C4' energy: -57.594 flat angles P-C4'-P energy: -32.447 tors. eta vs tors. theta energy: -18.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -558.277472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.277472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.277472 (E_RNA) where: Base-Base interactions energy: -304.151 where: short stacking energy: -181.687 Base-Backbone interact. energy: 0.200 local terms energy: -254.326447 where: bonds (distance) C4'-P energy: -63.768 bonds (distance) P-C4' energy: -63.117 flat angles C4'-P-C4' energy: -64.091 flat angles P-C4'-P energy: -45.060 tors. eta vs tors. theta energy: -18.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -323.927382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.927382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.927382 (E_RNA) where: Base-Base interactions energy: -111.152 where: short stacking energy: -85.941 Base-Backbone interact. energy: -1.011 local terms energy: -211.764375 where: bonds (distance) C4'-P energy: -70.143 bonds (distance) P-C4' energy: -63.901 flat angles C4'-P-C4' energy: -51.597 flat angles P-C4'-P energy: -34.894 tors. eta vs tors. theta energy: 8.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1353.405153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.405153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.405153 (E_RNA) where: Base-Base interactions energy: -932.243 where: short stacking energy: -430.010 Base-Backbone interact. energy: 0.070 local terms energy: -421.232705 where: bonds (distance) C4'-P energy: -87.487 bonds (distance) P-C4' energy: -80.426 flat angles C4'-P-C4' energy: -78.120 flat angles P-C4'-P energy: -54.905 tors. eta vs tors. theta energy: -120.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1255.109750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.109750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.109750 (E_RNA) where: Base-Base interactions energy: -847.349 where: short stacking energy: -375.038 Base-Backbone interact. energy: 0.166 local terms energy: -407.926719 where: bonds (distance) C4'-P energy: -75.341 bonds (distance) P-C4' energy: -75.243 flat angles C4'-P-C4' energy: -88.434 flat angles P-C4'-P energy: -58.526 tors. eta vs tors. theta energy: -110.382 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: 9 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1191.397349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.397349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.397349 (E_RNA) where: Base-Base interactions energy: -793.307 where: short stacking energy: -352.209 Base-Backbone interact. energy: -1.328 local terms energy: -396.762895 where: bonds (distance) C4'-P energy: -73.681 bonds (distance) P-C4' energy: -78.699 flat angles C4'-P-C4' energy: -91.007 flat angles P-C4'-P energy: -52.026 tors. eta vs tors. theta energy: -101.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1056.916512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.916512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.916512 (E_RNA) where: Base-Base interactions energy: -712.767 where: short stacking energy: -339.249 Base-Backbone interact. energy: -1.954 local terms energy: -342.195379 where: bonds (distance) C4'-P energy: -73.055 bonds (distance) P-C4' energy: -64.039 flat angles C4'-P-C4' energy: -74.524 flat angles P-C4'-P energy: -44.065 tors. eta vs tors. theta energy: -86.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1073.212795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.212795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.212795 (E_RNA) where: Base-Base interactions energy: -717.939 where: short stacking energy: -304.048 Base-Backbone interact. energy: 0.480 local terms energy: -355.754349 where: bonds (distance) C4'-P energy: -71.375 bonds (distance) P-C4' energy: -57.684 flat angles C4'-P-C4' energy: -84.258 flat angles P-C4'-P energy: -53.625 tors. eta vs tors. theta energy: -88.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -796.316378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.316378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.316378 (E_RNA) where: Base-Base interactions energy: -492.883 where: short stacking energy: -232.827 Base-Backbone interact. energy: 0.585 local terms energy: -304.018474 where: bonds (distance) C4'-P energy: -71.794 bonds (distance) P-C4' energy: -78.787 flat angles C4'-P-C4' energy: -65.159 flat angles P-C4'-P energy: -40.848 tors. eta vs tors. theta energy: -47.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -701.445126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.445126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.445126 (E_RNA) where: Base-Base interactions energy: -425.160 where: short stacking energy: -203.692 Base-Backbone interact. energy: 1.590 local terms energy: -277.875580 where: bonds (distance) C4'-P energy: -59.659 bonds (distance) P-C4' energy: -61.377 flat angles C4'-P-C4' energy: -73.310 flat angles P-C4'-P energy: -38.749 tors. eta vs tors. theta energy: -44.782 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: 8, replica: 4 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -556.596668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.596668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.596668 (E_RNA) where: Base-Base interactions energy: -290.072 where: short stacking energy: -148.537 Base-Backbone interact. energy: 1.126 local terms energy: -267.650209 where: bonds (distance) C4'-P energy: -60.656 bonds (distance) P-C4' energy: -62.824 flat angles C4'-P-C4' energy: -62.020 flat angles P-C4'-P energy: -49.075 tors. eta vs tors. theta energy: -33.076 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: 9, replica: 5 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -481.027173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.027173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.027173 (E_RNA) where: Base-Base interactions energy: -259.999 where: short stacking energy: -155.440 Base-Backbone interact. energy: -0.995 local terms energy: -220.032755 where: bonds (distance) C4'-P energy: -61.715 bonds (distance) P-C4' energy: -68.166 flat angles C4'-P-C4' energy: -52.517 flat angles P-C4'-P energy: -38.058 tors. eta vs tors. theta energy: 0.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -317.086537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.086537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.086537 (E_RNA) where: Base-Base interactions energy: -117.039 where: short stacking energy: -104.625 Base-Backbone interact. energy: -0.299 local terms energy: -199.748271 where: bonds (distance) C4'-P energy: -58.385 bonds (distance) P-C4' energy: -59.497 flat angles C4'-P-C4' energy: -50.204 flat angles P-C4'-P energy: -36.472 tors. eta vs tors. theta energy: 4.809 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: 7 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1352.010937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.010937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.010937 (E_RNA) where: Base-Base interactions energy: -945.910 where: short stacking energy: -426.355 Base-Backbone interact. energy: -0.985 local terms energy: -405.115819 where: bonds (distance) C4'-P energy: -68.417 bonds (distance) P-C4' energy: -76.301 flat angles C4'-P-C4' energy: -89.664 flat angles P-C4'-P energy: -52.877 tors. eta vs tors. theta energy: -117.857 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: 2 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1266.697862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.697862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.697862 (E_RNA) where: Base-Base interactions energy: -843.931 where: short stacking energy: -388.988 Base-Backbone interact. energy: -1.208 local terms energy: -421.558732 where: bonds (distance) C4'-P energy: -78.289 bonds (distance) P-C4' energy: -76.440 flat angles C4'-P-C4' energy: -88.693 flat angles P-C4'-P energy: -53.745 tors. eta vs tors. theta energy: -124.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1183.651422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.651422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.651422 (E_RNA) where: Base-Base interactions energy: -796.629 where: short stacking energy: -375.193 Base-Backbone interact. energy: 0.266 local terms energy: -387.289332 where: bonds (distance) C4'-P energy: -75.736 bonds (distance) P-C4' energy: -77.443 flat angles C4'-P-C4' energy: -82.565 flat angles P-C4'-P energy: -54.340 tors. eta vs tors. theta energy: -97.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1048.059006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.059006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.059006 (E_RNA) where: Base-Base interactions energy: -702.744 where: short stacking energy: -321.592 Base-Backbone interact. energy: 0.648 local terms energy: -345.962727 where: bonds (distance) C4'-P energy: -60.072 bonds (distance) P-C4' energy: -68.645 flat angles C4'-P-C4' energy: -76.107 flat angles P-C4'-P energy: -51.992 tors. eta vs tors. theta energy: -89.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1095.705105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.705105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.705105 (E_RNA) where: Base-Base interactions energy: -730.915 where: short stacking energy: -317.072 Base-Backbone interact. energy: -1.483 local terms energy: -363.307325 where: bonds (distance) C4'-P energy: -69.914 bonds (distance) P-C4' energy: -64.680 flat angles C4'-P-C4' energy: -86.717 flat angles P-C4'-P energy: -50.209 tors. eta vs tors. theta energy: -91.788 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: 6, replica: 8 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -795.632298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.632298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.632298 (E_RNA) where: Base-Base interactions energy: -499.262 where: short stacking energy: -241.610 Base-Backbone interact. energy: 1.200 local terms energy: -297.569831 where: bonds (distance) C4'-P energy: -65.944 bonds (distance) P-C4' energy: -63.761 flat angles C4'-P-C4' energy: -75.167 flat angles P-C4'-P energy: -43.014 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: 7, replica: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -729.111617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.111617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.111617 (E_RNA) where: Base-Base interactions energy: -437.993 where: short stacking energy: -216.659 Base-Backbone interact. energy: -0.906 local terms energy: -290.213178 where: bonds (distance) C4'-P energy: -69.358 bonds (distance) P-C4' energy: -65.472 flat angles C4'-P-C4' energy: -71.358 flat angles P-C4'-P energy: -36.667 tors. eta vs tors. theta energy: -47.359 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: 4 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -540.667611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.667611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.667611 (E_RNA) where: Base-Base interactions energy: -284.863 where: short stacking energy: -153.320 Base-Backbone interact. energy: 4.584 local terms energy: -260.388419 where: bonds (distance) C4'-P energy: -55.791 bonds (distance) P-C4' energy: -69.176 flat angles C4'-P-C4' energy: -75.413 flat angles P-C4'-P energy: -41.307 tors. eta vs tors. theta energy: -18.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -504.330601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.330601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.330601 (E_RNA) where: Base-Base interactions energy: -268.656 where: short stacking energy: -161.717 Base-Backbone interact. energy: -2.265 local terms energy: -233.409847 where: bonds (distance) C4'-P energy: -68.150 bonds (distance) P-C4' energy: -60.719 flat angles C4'-P-C4' energy: -52.148 flat angles P-C4'-P energy: -28.709 tors. eta vs tors. theta energy: -23.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -339.954422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.954422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.954422 (E_RNA) where: Base-Base interactions energy: -124.398 where: short stacking energy: -92.660 Base-Backbone interact. energy: -0.260 local terms energy: -215.297190 where: bonds (distance) C4'-P energy: -55.925 bonds (distance) P-C4' energy: -54.457 flat angles C4'-P-C4' energy: -70.351 flat angles P-C4'-P energy: -31.458 tors. eta vs tors. theta energy: -3.105 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: 7 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1354.596546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.596546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.596546 (E_RNA) where: Base-Base interactions energy: -936.157 where: short stacking energy: -417.331 Base-Backbone interact. energy: -0.717 local terms energy: -417.721877 where: bonds (distance) C4'-P energy: -67.757 bonds (distance) P-C4' energy: -84.324 flat angles C4'-P-C4' energy: -86.779 flat angles P-C4'-P energy: -58.649 tors. eta vs tors. theta energy: -120.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1280.414393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.414393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.414393 (E_RNA) where: Base-Base interactions energy: -837.495 where: short stacking energy: -378.861 Base-Backbone interact. energy: -3.233 local terms energy: -439.685991 where: bonds (distance) C4'-P energy: -82.912 bonds (distance) P-C4' energy: -91.676 flat angles C4'-P-C4' energy: -93.427 flat angles P-C4'-P energy: -52.454 tors. eta vs tors. theta energy: -119.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1180.400290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.400290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.400290 (E_RNA) where: Base-Base interactions energy: -782.035 where: short stacking energy: -342.513 Base-Backbone interact. energy: -3.325 local terms energy: -395.040019 where: bonds (distance) C4'-P energy: -79.791 bonds (distance) P-C4' energy: -77.571 flat angles C4'-P-C4' energy: -83.175 flat angles P-C4'-P energy: -51.906 tors. eta vs tors. theta energy: -102.597 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: 1 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1109.028535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.028535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.028535 (E_RNA) where: Base-Base interactions energy: -742.934 where: short stacking energy: -337.706 Base-Backbone interact. energy: 2.265 local terms energy: -368.359108 where: bonds (distance) C4'-P energy: -73.491 bonds (distance) P-C4' energy: -72.757 flat angles C4'-P-C4' energy: -64.875 flat angles P-C4'-P energy: -58.458 tors. eta vs tors. theta energy: -98.778 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: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -997.804722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.804722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.804722 (E_RNA) where: Base-Base interactions energy: -637.911 where: short stacking energy: -310.288 Base-Backbone interact. energy: -1.228 local terms energy: -358.666649 where: bonds (distance) C4'-P energy: -66.175 bonds (distance) P-C4' energy: -66.278 flat angles C4'-P-C4' energy: -83.811 flat angles P-C4'-P energy: -56.168 tors. eta vs tors. theta energy: -86.235 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: 6, replica: 8 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -786.069200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.069200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.069200 (E_RNA) where: Base-Base interactions energy: -477.388 where: short stacking energy: -218.824 Base-Backbone interact. energy: -2.156 local terms energy: -306.525075 where: bonds (distance) C4'-P energy: -66.606 bonds (distance) P-C4' energy: -63.252 flat angles C4'-P-C4' energy: -64.947 flat angles P-C4'-P energy: -51.471 tors. eta vs tors. theta energy: -60.248 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: 10 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -714.404234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.404234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.404234 (E_RNA) where: Base-Base interactions energy: -425.840 where: short stacking energy: -209.435 Base-Backbone interact. energy: 0.242 local terms energy: -288.805992 where: bonds (distance) C4'-P energy: -55.198 bonds (distance) P-C4' energy: -81.701 flat angles C4'-P-C4' energy: -69.482 flat angles P-C4'-P energy: -47.655 tors. eta vs tors. theta energy: -34.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -562.912601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.912601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.912601 (E_RNA) where: Base-Base interactions energy: -341.127 where: short stacking energy: -164.701 Base-Backbone interact. energy: -3.817 local terms energy: -217.969426 where: bonds (distance) C4'-P energy: -66.812 bonds (distance) P-C4' energy: -65.394 flat angles C4'-P-C4' energy: -42.366 flat angles P-C4'-P energy: -36.099 tors. eta vs tors. theta energy: -7.299 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: 5 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -493.538750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.538750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.538750 (E_RNA) where: Base-Base interactions energy: -273.091 where: short stacking energy: -143.751 Base-Backbone interact. energy: 1.081 local terms energy: -221.528686 where: bonds (distance) C4'-P energy: -64.193 bonds (distance) P-C4' energy: -55.311 flat angles C4'-P-C4' energy: -62.117 flat angles P-C4'-P energy: -35.411 tors. eta vs tors. theta energy: -4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -325.373053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.373053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.373053 (E_RNA) where: Base-Base interactions energy: -116.924 where: short stacking energy: -91.366 Base-Backbone interact. energy: 1.348 local terms energy: -209.796812 where: bonds (distance) C4'-P energy: -55.751 bonds (distance) P-C4' energy: -45.152 flat angles C4'-P-C4' energy: -73.324 flat angles P-C4'-P energy: -30.562 tors. eta vs tors. theta energy: -5.007 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: 7 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1361.029151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.029151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.029151 (E_RNA) where: Base-Base interactions energy: -927.075 where: short stacking energy: -404.265 Base-Backbone interact. energy: -2.524 local terms energy: -431.430567 where: bonds (distance) C4'-P energy: -75.102 bonds (distance) P-C4' energy: -85.157 flat angles C4'-P-C4' energy: -90.335 flat angles P-C4'-P energy: -61.268 tors. eta vs tors. theta energy: -119.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1280.937725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.937725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.937725 (E_RNA) where: Base-Base interactions energy: -880.753 where: short stacking energy: -416.086 Base-Backbone interact. energy: -2.685 local terms energy: -397.499938 where: bonds (distance) C4'-P energy: -67.550 bonds (distance) P-C4' energy: -68.324 flat angles C4'-P-C4' energy: -81.580 flat angles P-C4'-P energy: -57.039 tors. eta vs tors. theta energy: -123.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1187.115759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.115759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.115759 (E_RNA) where: Base-Base interactions energy: -790.697 where: short stacking energy: -356.645 Base-Backbone interact. energy: 0.240 local terms energy: -396.658911 where: bonds (distance) C4'-P energy: -76.054 bonds (distance) P-C4' energy: -75.198 flat angles C4'-P-C4' energy: -87.814 flat angles P-C4'-P energy: -53.311 tors. eta vs tors. theta energy: -104.283 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: 1 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1140.556865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.556865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.556865 (E_RNA) where: Base-Base interactions energy: -772.746 where: short stacking energy: -348.672 Base-Backbone interact. energy: 1.694 local terms energy: -369.504907 where: bonds (distance) C4'-P energy: -75.117 bonds (distance) P-C4' energy: -68.379 flat angles C4'-P-C4' energy: -71.649 flat angles P-C4'-P energy: -54.228 tors. eta vs tors. theta energy: -100.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1041.360496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.360496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.360496 (E_RNA) where: Base-Base interactions energy: -683.872 where: short stacking energy: -322.198 Base-Backbone interact. energy: -1.672 local terms energy: -355.816721 where: bonds (distance) C4'-P energy: -64.939 bonds (distance) P-C4' energy: -67.394 flat angles C4'-P-C4' energy: -86.857 flat angles P-C4'-P energy: -50.665 tors. eta vs tors. theta energy: -85.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -819.339864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.339864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.339864 (E_RNA) where: Base-Base interactions energy: -493.120 where: short stacking energy: -241.729 Base-Backbone interact. energy: 1.650 local terms energy: -327.870040 where: bonds (distance) C4'-P energy: -72.781 bonds (distance) P-C4' energy: -84.670 flat angles C4'-P-C4' energy: -68.938 flat angles P-C4'-P energy: -45.628 tors. eta vs tors. theta energy: -55.853 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: 7, replica: 10 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -691.597180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.597180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.597180 (E_RNA) where: Base-Base interactions energy: -393.205 where: short stacking energy: -188.725 Base-Backbone interact. energy: 0.969 local terms energy: -299.361199 where: bonds (distance) C4'-P energy: -64.423 bonds (distance) P-C4' energy: -68.946 flat angles C4'-P-C4' energy: -73.773 flat angles P-C4'-P energy: -49.314 tors. eta vs tors. theta energy: -42.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -606.418939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.418939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.418939 (E_RNA) where: Base-Base interactions energy: -357.966 where: short stacking energy: -181.125 Base-Backbone interact. energy: -0.875 local terms energy: -247.578277 where: bonds (distance) C4'-P energy: -63.034 bonds (distance) P-C4' energy: -71.577 flat angles C4'-P-C4' energy: -58.084 flat angles P-C4'-P energy: -29.467 tors. eta vs tors. theta energy: -25.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -506.829757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.829757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.829757 (E_RNA) where: Base-Base interactions energy: -256.455 where: short stacking energy: -136.069 Base-Backbone interact. energy: 0.288 local terms energy: -250.662934 where: bonds (distance) C4'-P energy: -65.685 bonds (distance) P-C4' energy: -66.531 flat angles C4'-P-C4' energy: -62.907 flat angles P-C4'-P energy: -39.255 tors. eta vs tors. theta energy: -16.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -342.357472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.357472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.357472 (E_RNA) where: Base-Base interactions energy: -149.874 where: short stacking energy: -106.892 Base-Backbone interact. energy: -0.262 local terms energy: -192.221923 where: bonds (distance) C4'-P energy: -56.624 bonds (distance) P-C4' energy: -54.008 flat angles C4'-P-C4' energy: -51.480 flat angles P-C4'-P energy: -31.676 tors. eta vs tors. theta energy: 1.567 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: 7 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1370.197880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.197880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.197880 (E_RNA) where: Base-Base interactions energy: -935.768 where: short stacking energy: -424.062 Base-Backbone interact. energy: -1.105 local terms energy: -433.325190 where: bonds (distance) C4'-P energy: -76.845 bonds (distance) P-C4' energy: -77.152 flat angles C4'-P-C4' energy: -88.251 flat angles P-C4'-P energy: -59.240 tors. eta vs tors. theta energy: -131.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1280.767249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.767249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.767249 (E_RNA) where: Base-Base interactions energy: -861.192 where: short stacking energy: -391.804 Base-Backbone interact. energy: -3.253 local terms energy: -416.321744 where: bonds (distance) C4'-P energy: -71.097 bonds (distance) P-C4' energy: -74.957 flat angles C4'-P-C4' energy: -94.575 flat angles P-C4'-P energy: -60.697 tors. eta vs tors. theta energy: -114.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1190.325265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.325265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.325265 (E_RNA) where: Base-Base interactions energy: -784.622 where: short stacking energy: -373.975 Base-Backbone interact. energy: -1.664 local terms energy: -404.038902 where: bonds (distance) C4'-P energy: -69.682 bonds (distance) P-C4' energy: -82.379 flat angles C4'-P-C4' energy: -83.141 flat angles P-C4'-P energy: -64.082 tors. eta vs tors. theta energy: -104.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1170.869334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.869334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.869334 (E_RNA) where: Base-Base interactions energy: -783.356 where: short stacking energy: -369.559 Base-Backbone interact. energy: 0.269 local terms energy: -387.783098 where: bonds (distance) C4'-P energy: -63.755 bonds (distance) P-C4' energy: -71.130 flat angles C4'-P-C4' energy: -80.342 flat angles P-C4'-P energy: -58.113 tors. eta vs tors. theta energy: -114.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -972.484550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.484550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.484550 (E_RNA) where: Base-Base interactions energy: -644.562 where: short stacking energy: -304.654 Base-Backbone interact. energy: 3.001 local terms energy: -330.924150 where: bonds (distance) C4'-P energy: -64.865 bonds (distance) P-C4' energy: -73.331 flat angles C4'-P-C4' energy: -65.657 flat angles P-C4'-P energy: -40.420 tors. eta vs tors. theta energy: -86.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -850.973532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.973532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.973532 (E_RNA) where: Base-Base interactions energy: -518.266 where: short stacking energy: -254.965 Base-Backbone interact. energy: -1.792 local terms energy: -330.915572 where: bonds (distance) C4'-P energy: -75.225 bonds (distance) P-C4' energy: -74.354 flat angles C4'-P-C4' energy: -72.056 flat angles P-C4'-P energy: -47.946 tors. eta vs tors. theta energy: -61.334 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: 10 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -746.343985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.343985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.343985 (E_RNA) where: Base-Base interactions energy: -443.994 where: short stacking energy: -203.069 Base-Backbone interact. energy: -1.148 local terms energy: -301.202774 where: bonds (distance) C4'-P energy: -69.474 bonds (distance) P-C4' energy: -81.117 flat angles C4'-P-C4' energy: -72.132 flat angles P-C4'-P energy: -37.043 tors. eta vs tors. theta energy: -41.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -637.537264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.537264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.537264 (E_RNA) where: Base-Base interactions energy: -374.597 where: short stacking energy: -177.253 Base-Backbone interact. energy: -2.272 local terms energy: -260.668474 where: bonds (distance) C4'-P energy: -65.134 bonds (distance) P-C4' energy: -72.671 flat angles C4'-P-C4' energy: -55.371 flat angles P-C4'-P energy: -33.565 tors. eta vs tors. theta energy: -33.927 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: 5 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -524.075883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.075883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.075883 (E_RNA) where: Base-Base interactions energy: -276.999 where: short stacking energy: -148.295 Base-Backbone interact. energy: 1.743 local terms energy: -248.819256 where: bonds (distance) C4'-P energy: -69.136 bonds (distance) P-C4' energy: -54.103 flat angles C4'-P-C4' energy: -67.230 flat angles P-C4'-P energy: -39.390 tors. eta vs tors. theta energy: -18.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -342.925065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.925065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.925065 (E_RNA) where: Base-Base interactions energy: -137.718 where: short stacking energy: -85.541 Base-Backbone interact. energy: -0.008 local terms energy: -205.199205 where: bonds (distance) C4'-P energy: -70.724 bonds (distance) P-C4' energy: -64.529 flat angles C4'-P-C4' energy: -60.378 flat angles P-C4'-P energy: -15.554 tors. eta vs tors. theta energy: 5.986 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: 7 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1351.169742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.169742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.169742 (E_RNA) where: Base-Base interactions energy: -924.361 where: short stacking energy: -408.635 Base-Backbone interact. energy: -2.057 local terms energy: -424.751398 where: bonds (distance) C4'-P energy: -80.256 bonds (distance) P-C4' energy: -69.555 flat angles C4'-P-C4' energy: -88.507 flat angles P-C4'-P energy: -60.076 tors. eta vs tors. theta energy: -126.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1292.753247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.753247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.753247 (E_RNA) where: Base-Base interactions energy: -880.152 where: short stacking energy: -406.341 Base-Backbone interact. energy: 0.592 local terms energy: -413.192520 where: bonds (distance) C4'-P energy: -76.416 bonds (distance) P-C4' energy: -80.271 flat angles C4'-P-C4' energy: -87.760 flat angles P-C4'-P energy: -58.503 tors. eta vs tors. theta energy: -110.242 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: 9 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1187.935369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.935369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.935369 (E_RNA) where: Base-Base interactions energy: -782.019 where: short stacking energy: -368.372 Base-Backbone interact. energy: -2.442 local terms energy: -403.474208 where: bonds (distance) C4'-P energy: -71.840 bonds (distance) P-C4' energy: -81.111 flat angles C4'-P-C4' energy: -86.745 flat angles P-C4'-P energy: -53.853 tors. eta vs tors. theta energy: -109.925 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: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1127.689399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.689399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.689399 (E_RNA) where: Base-Base interactions energy: -769.193 where: short stacking energy: -377.832 Base-Backbone interact. energy: 2.476 local terms energy: -360.971700 where: bonds (distance) C4'-P energy: -69.360 bonds (distance) P-C4' energy: -64.903 flat angles C4'-P-C4' energy: -74.615 flat angles P-C4'-P energy: -42.693 tors. eta vs tors. theta energy: -109.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -950.437493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.437493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.437493 (E_RNA) where: Base-Base interactions energy: -617.426 where: short stacking energy: -287.344 Base-Backbone interact. energy: -1.637 local terms energy: -331.374498 where: bonds (distance) C4'-P energy: -61.105 bonds (distance) P-C4' energy: -68.050 flat angles C4'-P-C4' energy: -84.308 flat angles P-C4'-P energy: -50.260 tors. eta vs tors. theta energy: -67.652 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: 8 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -832.173920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.173920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.173920 (E_RNA) where: Base-Base interactions energy: -494.056 where: short stacking energy: -224.867 Base-Backbone interact. energy: -0.772 local terms energy: -337.345507 where: bonds (distance) C4'-P energy: -76.256 bonds (distance) P-C4' energy: -73.815 flat angles C4'-P-C4' energy: -76.280 flat angles P-C4'-P energy: -52.139 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: 7, replica: 10 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -783.262905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.262905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.262905 (E_RNA) where: Base-Base interactions energy: -497.801 where: short stacking energy: -245.122 Base-Backbone interact. energy: 3.544 local terms energy: -289.006537 where: bonds (distance) C4'-P energy: -57.299 bonds (distance) P-C4' energy: -66.185 flat angles C4'-P-C4' energy: -77.424 flat angles P-C4'-P energy: -42.829 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: 4 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -630.068518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.068518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.068518 (E_RNA) where: Base-Base interactions energy: -365.199 where: short stacking energy: -168.302 Base-Backbone interact. energy: 0.996 local terms energy: -265.865735 where: bonds (distance) C4'-P energy: -66.157 bonds (distance) P-C4' energy: -76.353 flat angles C4'-P-C4' energy: -64.556 flat angles P-C4'-P energy: -33.702 tors. eta vs tors. theta energy: -25.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -520.758711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.758711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.758711 (E_RNA) where: Base-Base interactions energy: -269.850 where: short stacking energy: -152.777 Base-Backbone interact. energy: -0.831 local terms energy: -250.077724 where: bonds (distance) C4'-P energy: -72.674 bonds (distance) P-C4' energy: -68.720 flat angles C4'-P-C4' energy: -53.836 flat angles P-C4'-P energy: -32.864 tors. eta vs tors. theta energy: -21.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -331.662898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.662898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.662898 (E_RNA) where: Base-Base interactions energy: -117.047 where: short stacking energy: -111.118 Base-Backbone interact. energy: -1.229 local terms energy: -213.386776 where: bonds (distance) C4'-P energy: -58.525 bonds (distance) P-C4' energy: -68.752 flat angles C4'-P-C4' energy: -65.040 flat angles P-C4'-P energy: -22.688 tors. eta vs tors. theta energy: 1.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1359.184122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.184122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.184122 (E_RNA) where: Base-Base interactions energy: -927.065 where: short stacking energy: -417.896 Base-Backbone interact. energy: -0.194 local terms energy: -431.924962 where: bonds (distance) C4'-P energy: -74.205 bonds (distance) P-C4' energy: -75.385 flat angles C4'-P-C4' energy: -98.683 flat angles P-C4'-P energy: -57.612 tors. eta vs tors. theta energy: -126.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1284.628487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.628487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.628487 (E_RNA) where: Base-Base interactions energy: -878.787 where: short stacking energy: -409.281 Base-Backbone interact. energy: -3.740 local terms energy: -402.102385 where: bonds (distance) C4'-P energy: -67.262 bonds (distance) P-C4' energy: -69.521 flat angles C4'-P-C4' energy: -89.409 flat angles P-C4'-P energy: -58.917 tors. eta vs tors. theta energy: -116.994 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: 9 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1193.186121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.186121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.186121 (E_RNA) where: Base-Base interactions energy: -784.344 where: short stacking energy: -365.285 Base-Backbone interact. energy: -1.083 local terms energy: -407.759664 where: bonds (distance) C4'-P energy: -84.385 bonds (distance) P-C4' energy: -74.440 flat angles C4'-P-C4' energy: -89.669 flat angles P-C4'-P energy: -45.368 tors. eta vs tors. theta energy: -113.897 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: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1143.649026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.649026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.649026 (E_RNA) where: Base-Base interactions energy: -767.125 where: short stacking energy: -356.848 Base-Backbone interact. energy: -0.872 local terms energy: -375.652279 where: bonds (distance) C4'-P energy: -75.930 bonds (distance) P-C4' energy: -58.351 flat angles C4'-P-C4' energy: -86.528 flat angles P-C4'-P energy: -56.955 tors. eta vs tors. theta energy: -97.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -929.090023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.090023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.090023 (E_RNA) where: Base-Base interactions energy: -607.758 where: short stacking energy: -298.873 Base-Backbone interact. energy: -2.830 local terms energy: -318.501248 where: bonds (distance) C4'-P energy: -67.258 bonds (distance) P-C4' energy: -61.443 flat angles C4'-P-C4' energy: -71.066 flat angles P-C4'-P energy: -36.196 tors. eta vs tors. theta energy: -82.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -885.882914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.882914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.882914 (E_RNA) where: Base-Base interactions energy: -564.722 where: short stacking energy: -265.007 Base-Backbone interact. energy: -4.009 local terms energy: -317.151667 where: bonds (distance) C4'-P energy: -66.073 bonds (distance) P-C4' energy: -70.335 flat angles C4'-P-C4' energy: -76.151 flat angles P-C4'-P energy: -41.551 tors. eta vs tors. theta energy: -63.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -793.815892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.815892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.815892 (E_RNA) where: Base-Base interactions energy: -488.939 where: short stacking energy: -227.507 Base-Backbone interact. energy: -1.840 local terms energy: -303.036217 where: bonds (distance) C4'-P energy: -68.348 bonds (distance) P-C4' energy: -70.792 flat angles C4'-P-C4' energy: -65.177 flat angles P-C4'-P energy: -52.040 tors. eta vs tors. theta energy: -46.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -580.042719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.042719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.042719 (E_RNA) where: Base-Base interactions energy: -309.828 where: short stacking energy: -190.479 Base-Backbone interact. energy: -1.175 local terms energy: -269.039897 where: bonds (distance) C4'-P energy: -75.260 bonds (distance) P-C4' energy: -52.428 flat angles C4'-P-C4' energy: -58.316 flat angles P-C4'-P energy: -48.743 tors. eta vs tors. theta energy: -34.293 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: 4 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -573.973700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.973700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.973700 (E_RNA) where: Base-Base interactions energy: -344.400 where: short stacking energy: -153.195 Base-Backbone interact. energy: -0.204 local terms energy: -229.369858 where: bonds (distance) C4'-P energy: -77.144 bonds (distance) P-C4' energy: -61.399 flat angles C4'-P-C4' energy: -61.582 flat angles P-C4'-P energy: -21.175 tors. eta vs tors. theta energy: -8.070 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: 10, replica: 6 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -370.405342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.405342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.405342 (E_RNA) where: Base-Base interactions energy: -139.214 where: short stacking energy: -105.412 Base-Backbone interact. energy: -0.101 local terms energy: -231.090184 where: bonds (distance) C4'-P energy: -55.721 bonds (distance) P-C4' energy: -73.771 flat angles C4'-P-C4' energy: -71.608 flat angles P-C4'-P energy: -32.224 tors. eta vs tors. theta energy: 2.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1373.625965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.625965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.625965 (E_RNA) where: Base-Base interactions energy: -936.904 where: short stacking energy: -413.884 Base-Backbone interact. energy: -5.019 local terms energy: -431.702665 where: bonds (distance) C4'-P energy: -82.082 bonds (distance) P-C4' energy: -73.248 flat angles C4'-P-C4' energy: -94.935 flat angles P-C4'-P energy: -57.377 tors. eta vs tors. theta energy: -124.061 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: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1294.966614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.966614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.966614 (E_RNA) where: Base-Base interactions energy: -873.426 where: short stacking energy: -421.674 Base-Backbone interact. energy: -1.145 local terms energy: -420.395498 where: bonds (distance) C4'-P energy: -77.539 bonds (distance) P-C4' energy: -69.633 flat angles C4'-P-C4' energy: -89.079 flat angles P-C4'-P energy: -64.613 tors. eta vs tors. theta energy: -119.531 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: 3, replica: 9 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1198.761932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.761932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.761932 (E_RNA) where: Base-Base interactions energy: -798.274 where: short stacking energy: -351.431 Base-Backbone interact. energy: -1.130 local terms energy: -399.358082 where: bonds (distance) C4'-P energy: -80.204 bonds (distance) P-C4' energy: -80.546 flat angles C4'-P-C4' energy: -90.417 flat angles P-C4'-P energy: -44.818 tors. eta vs tors. theta energy: -103.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1173.256849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.256849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.256849 (E_RNA) where: Base-Base interactions energy: -772.739 where: short stacking energy: -338.848 Base-Backbone interact. energy: -0.661 local terms energy: -399.856616 where: bonds (distance) C4'-P energy: -72.830 bonds (distance) P-C4' energy: -70.404 flat angles C4'-P-C4' energy: -92.122 flat angles P-C4'-P energy: -61.018 tors. eta vs tors. theta energy: -103.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -888.532172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.532172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.532172 (E_RNA) where: Base-Base interactions energy: -573.560 where: short stacking energy: -284.306 Base-Backbone interact. energy: 0.426 local terms energy: -315.398456 where: bonds (distance) C4'-P energy: -64.709 bonds (distance) P-C4' energy: -84.443 flat angles C4'-P-C4' energy: -70.557 flat angles P-C4'-P energy: -36.699 tors. eta vs tors. theta energy: -58.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -898.256810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.256810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.256810 (E_RNA) where: Base-Base interactions energy: -568.230 where: short stacking energy: -289.721 Base-Backbone interact. energy: -2.148 local terms energy: -327.878729 where: bonds (distance) C4'-P energy: -71.069 bonds (distance) P-C4' energy: -67.350 flat angles C4'-P-C4' energy: -68.260 flat angles P-C4'-P energy: -45.976 tors. eta vs tors. theta energy: -75.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -777.222397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.222397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.222397 (E_RNA) where: Base-Base interactions energy: -482.917 where: short stacking energy: -238.994 Base-Backbone interact. energy: -0.326 local terms energy: -293.978996 where: bonds (distance) C4'-P energy: -56.490 bonds (distance) P-C4' energy: -72.260 flat angles C4'-P-C4' energy: -59.338 flat angles P-C4'-P energy: -49.641 tors. eta vs tors. theta energy: -56.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -565.730908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.730908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.730908 (E_RNA) where: Base-Base interactions energy: -299.045 where: short stacking energy: -170.560 Base-Backbone interact. energy: 1.626 local terms energy: -268.311412 where: bonds (distance) C4'-P energy: -59.290 bonds (distance) P-C4' energy: -58.147 flat angles C4'-P-C4' energy: -73.569 flat angles P-C4'-P energy: -41.076 tors. eta vs tors. theta energy: -36.230 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: 4 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -647.903524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.903524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.903524 (E_RNA) where: Base-Base interactions energy: -376.770 where: short stacking energy: -185.675 Base-Backbone interact. energy: -1.207 local terms energy: -269.926325 where: bonds (distance) C4'-P energy: -64.526 bonds (distance) P-C4' energy: -69.607 flat angles C4'-P-C4' energy: -73.376 flat angles P-C4'-P energy: -29.735 tors. eta vs tors. theta energy: -32.683 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: 6 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -310.884074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.884074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.884074 (E_RNA) where: Base-Base interactions energy: -125.934 where: short stacking energy: -85.986 Base-Backbone interact. energy: 2.870 local terms energy: -187.819939 where: bonds (distance) C4'-P energy: -61.479 bonds (distance) P-C4' energy: -61.444 flat angles C4'-P-C4' energy: -48.882 flat angles P-C4'-P energy: -28.958 tors. eta vs tors. theta energy: 12.944 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: 7 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1349.425437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.425437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.425437 (E_RNA) where: Base-Base interactions energy: -926.219 where: short stacking energy: -406.280 Base-Backbone interact. energy: -1.251 local terms energy: -421.954639 where: bonds (distance) C4'-P energy: -72.151 bonds (distance) P-C4' energy: -85.971 flat angles C4'-P-C4' energy: -83.703 flat angles P-C4'-P energy: -56.546 tors. eta vs tors. theta energy: -123.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1312.648992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.648992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.648992 (E_RNA) where: Base-Base interactions energy: -904.606 where: short stacking energy: -406.554 Base-Backbone interact. energy: 0.318 local terms energy: -408.360826 where: bonds (distance) C4'-P energy: -71.574 bonds (distance) P-C4' energy: -80.043 flat angles C4'-P-C4' energy: -75.971 flat angles P-C4'-P energy: -61.884 tors. eta vs tors. theta energy: -118.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1190.061835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.061835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.061835 (E_RNA) where: Base-Base interactions energy: -799.515 where: short stacking energy: -353.368 Base-Backbone interact. energy: -0.524 local terms energy: -390.022101 where: bonds (distance) C4'-P energy: -61.612 bonds (distance) P-C4' energy: -85.954 flat angles C4'-P-C4' energy: -74.476 flat angles P-C4'-P energy: -61.886 tors. eta vs tors. theta energy: -106.094 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: 4, replica: 1 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1185.923711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.923711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.923711 (E_RNA) where: Base-Base interactions energy: -798.556 where: short stacking energy: -353.165 Base-Backbone interact. energy: 1.506 local terms energy: -388.873699 where: bonds (distance) C4'-P energy: -67.520 bonds (distance) P-C4' energy: -72.489 flat angles C4'-P-C4' energy: -82.724 flat angles P-C4'-P energy: -54.020 tors. eta vs tors. theta energy: -112.121 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: 8 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -878.252444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.252444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.252444 (E_RNA) where: Base-Base interactions energy: -560.320 where: short stacking energy: -259.933 Base-Backbone interact. energy: 4.502 local terms energy: -322.434581 where: bonds (distance) C4'-P energy: -78.881 bonds (distance) P-C4' energy: -70.959 flat angles C4'-P-C4' energy: -63.517 flat angles P-C4'-P energy: -49.847 tors. eta vs tors. theta energy: -59.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -921.771568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.771568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.771568 (E_RNA) where: Base-Base interactions energy: -602.890 where: short stacking energy: -275.526 Base-Backbone interact. energy: 0.200 local terms energy: -319.081641 where: bonds (distance) C4'-P energy: -63.499 bonds (distance) P-C4' energy: -61.993 flat angles C4'-P-C4' energy: -69.813 flat angles P-C4'-P energy: -53.065 tors. eta vs tors. theta energy: -70.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -794.145381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.145381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.145381 (E_RNA) where: Base-Base interactions energy: -476.554 where: short stacking energy: -241.867 Base-Backbone interact. energy: 3.989 local terms energy: -321.580817 where: bonds (distance) C4'-P energy: -65.312 bonds (distance) P-C4' energy: -74.513 flat angles C4'-P-C4' energy: -68.795 flat angles P-C4'-P energy: -53.254 tors. eta vs tors. theta energy: -59.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -677.515464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.515464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.515464 (E_RNA) where: Base-Base interactions energy: -396.847 where: short stacking energy: -200.662 Base-Backbone interact. energy: 1.119 local terms energy: -281.786963 where: bonds (distance) C4'-P energy: -74.278 bonds (distance) P-C4' energy: -72.532 flat angles C4'-P-C4' energy: -57.093 flat angles P-C4'-P energy: -42.217 tors. eta vs tors. theta energy: -35.667 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: 5 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -522.566922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.566922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.566922 (E_RNA) where: Base-Base interactions energy: -286.750 where: short stacking energy: -160.171 Base-Backbone interact. energy: -0.497 local terms energy: -235.320072 where: bonds (distance) C4'-P energy: -59.464 bonds (distance) P-C4' energy: -72.568 flat angles C4'-P-C4' energy: -61.635 flat angles P-C4'-P energy: -33.468 tors. eta vs tors. theta energy: -8.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -335.413388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.413388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.413388 (E_RNA) where: Base-Base interactions energy: -128.818 where: short stacking energy: -112.769 Base-Backbone interact. energy: 2.969 local terms energy: -209.565220 where: bonds (distance) C4'-P energy: -64.327 bonds (distance) P-C4' energy: -64.276 flat angles C4'-P-C4' energy: -60.717 flat angles P-C4'-P energy: -33.584 tors. eta vs tors. theta energy: 13.339 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: 2 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1324.183431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.183431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.183431 (E_RNA) where: Base-Base interactions energy: -900.008 where: short stacking energy: -417.950 Base-Backbone interact. energy: -2.663 local terms energy: -421.512619 where: bonds (distance) C4'-P energy: -72.537 bonds (distance) P-C4' energy: -83.565 flat angles C4'-P-C4' energy: -88.045 flat angles P-C4'-P energy: -58.770 tors. eta vs tors. theta energy: -118.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1331.915297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.915297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.915297 (E_RNA) where: Base-Base interactions energy: -914.063 where: short stacking energy: -422.016 Base-Backbone interact. energy: -2.310 local terms energy: -415.542645 where: bonds (distance) C4'-P energy: -68.228 bonds (distance) P-C4' energy: -76.885 flat angles C4'-P-C4' energy: -77.559 flat angles P-C4'-P energy: -62.165 tors. eta vs tors. theta energy: -130.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1209.216740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.216740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.216740 (E_RNA) where: Base-Base interactions energy: -808.366 where: short stacking energy: -351.746 Base-Backbone interact. energy: -3.346 local terms energy: -397.504751 where: bonds (distance) C4'-P energy: -75.924 bonds (distance) P-C4' energy: -80.853 flat angles C4'-P-C4' energy: -77.074 flat angles P-C4'-P energy: -60.242 tors. eta vs tors. theta energy: -103.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1113.800988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.800988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.800988 (E_RNA) where: Base-Base interactions energy: -760.755 where: short stacking energy: -329.132 Base-Backbone interact. energy: -0.233 local terms energy: -352.813175 where: bonds (distance) C4'-P energy: -61.564 bonds (distance) P-C4' energy: -72.921 flat angles C4'-P-C4' energy: -82.513 flat angles P-C4'-P energy: -48.772 tors. eta vs tors. theta energy: -87.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -996.763987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.763987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.763987 (E_RNA) where: Base-Base interactions energy: -654.324 where: short stacking energy: -291.746 Base-Backbone interact. energy: -1.909 local terms energy: -340.530674 where: bonds (distance) C4'-P energy: -55.297 bonds (distance) P-C4' energy: -67.175 flat angles C4'-P-C4' energy: -77.194 flat angles P-C4'-P energy: -57.712 tors. eta vs tors. theta energy: -83.153 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: 8 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -933.823453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.823453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.823453 (E_RNA) where: Base-Base interactions energy: -604.164 where: short stacking energy: -270.558 Base-Backbone interact. energy: 1.571 local terms energy: -331.230208 where: bonds (distance) C4'-P energy: -61.613 bonds (distance) P-C4' energy: -66.243 flat angles C4'-P-C4' energy: -70.387 flat angles P-C4'-P energy: -50.411 tors. eta vs tors. theta energy: -82.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -781.205635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.205635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.205635 (E_RNA) where: Base-Base interactions energy: -476.704 where: short stacking energy: -243.845 Base-Backbone interact. energy: -0.106 local terms energy: -304.395558 where: bonds (distance) C4'-P energy: -65.741 bonds (distance) P-C4' energy: -62.780 flat angles C4'-P-C4' energy: -65.887 flat angles P-C4'-P energy: -51.193 tors. eta vs tors. theta energy: -58.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -692.405428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.405428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.405428 (E_RNA) where: Base-Base interactions energy: -401.883 where: short stacking energy: -196.110 Base-Backbone interact. energy: -0.663 local terms energy: -289.859622 where: bonds (distance) C4'-P energy: -68.141 bonds (distance) P-C4' energy: -78.313 flat angles C4'-P-C4' energy: -57.524 flat angles P-C4'-P energy: -41.356 tors. eta vs tors. theta energy: -44.525 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: 5 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -509.820229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.820229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.820229 (E_RNA) where: Base-Base interactions energy: -249.789 where: short stacking energy: -143.031 Base-Backbone interact. energy: -0.528 local terms energy: -259.503792 where: bonds (distance) C4'-P energy: -67.432 bonds (distance) P-C4' energy: -77.971 flat angles C4'-P-C4' energy: -68.278 flat angles P-C4'-P energy: -28.271 tors. eta vs tors. theta energy: -17.552 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: 6 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -307.349409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.349409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.349409 (E_RNA) where: Base-Base interactions energy: -97.202 where: short stacking energy: -90.467 Base-Backbone interact. energy: 0.861 local terms energy: -211.008508 where: bonds (distance) C4'-P energy: -57.925 bonds (distance) P-C4' energy: -83.047 flat angles C4'-P-C4' energy: -55.696 flat angles P-C4'-P energy: -34.824 tors. eta vs tors. theta energy: 20.483 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: 2 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1328.100043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.100043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.100043 (E_RNA) where: Base-Base interactions energy: -912.587 where: short stacking energy: -411.217 Base-Backbone interact. energy: 1.119 local terms energy: -416.631289 where: bonds (distance) C4'-P energy: -72.869 bonds (distance) P-C4' energy: -84.349 flat angles C4'-P-C4' energy: -88.704 flat angles P-C4'-P energy: -52.473 tors. eta vs tors. theta energy: -118.235 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: 7 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1317.799117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.799117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.799117 (E_RNA) where: Base-Base interactions energy: -886.380 where: short stacking energy: -422.501 Base-Backbone interact. energy: -1.035 local terms energy: -430.384910 where: bonds (distance) C4'-P energy: -75.449 bonds (distance) P-C4' energy: -82.332 flat angles C4'-P-C4' energy: -83.893 flat angles P-C4'-P energy: -55.911 tors. eta vs tors. theta energy: -132.801 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: 1 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1184.533267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.533267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.533267 (E_RNA) where: Base-Base interactions energy: -801.256 where: short stacking energy: -353.493 Base-Backbone interact. energy: 0.755 local terms energy: -384.032369 where: bonds (distance) C4'-P energy: -72.322 bonds (distance) P-C4' energy: -76.289 flat angles C4'-P-C4' energy: -87.749 flat angles P-C4'-P energy: -45.194 tors. eta vs tors. theta energy: -102.478 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: 9 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1120.984939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.984939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.984939 (E_RNA) where: Base-Base interactions energy: -781.428 where: short stacking energy: -345.531 Base-Backbone interact. energy: 4.890 local terms energy: -344.446263 where: bonds (distance) C4'-P energy: -60.284 bonds (distance) P-C4' energy: -67.704 flat angles C4'-P-C4' energy: -84.882 flat angles P-C4'-P energy: -39.517 tors. eta vs tors. theta energy: -92.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -985.083055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.083055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.083055 (E_RNA) where: Base-Base interactions energy: -627.068 where: short stacking energy: -292.634 Base-Backbone interact. energy: -1.396 local terms energy: -356.619026 where: bonds (distance) C4'-P energy: -74.580 bonds (distance) P-C4' energy: -79.562 flat angles C4'-P-C4' energy: -79.502 flat angles P-C4'-P energy: -49.393 tors. eta vs tors. theta energy: -73.583 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: 8 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -917.954437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.954437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.954437 (E_RNA) where: Base-Base interactions energy: -603.922 where: short stacking energy: -271.780 Base-Backbone interact. energy: -1.359 local terms energy: -312.673663 where: bonds (distance) C4'-P energy: -65.157 bonds (distance) P-C4' energy: -69.264 flat angles C4'-P-C4' energy: -71.503 flat angles P-C4'-P energy: -41.963 tors. eta vs tors. theta energy: -64.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -781.466960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.466960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.466960 (E_RNA) where: Base-Base interactions energy: -485.046 where: short stacking energy: -240.130 Base-Backbone interact. energy: -0.463 local terms energy: -295.957203 where: bonds (distance) C4'-P energy: -68.449 bonds (distance) P-C4' energy: -70.248 flat angles C4'-P-C4' energy: -61.603 flat angles P-C4'-P energy: -48.392 tors. eta vs tors. theta energy: -47.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -682.606624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.606624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.606624 (E_RNA) where: Base-Base interactions energy: -409.079 where: short stacking energy: -206.736 Base-Backbone interact. energy: -1.940 local terms energy: -271.586793 where: bonds (distance) C4'-P energy: -63.793 bonds (distance) P-C4' energy: -67.721 flat angles C4'-P-C4' energy: -65.991 flat angles P-C4'-P energy: -44.202 tors. eta vs tors. theta energy: -29.880 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: 5 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -463.881662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.881662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.881662 (E_RNA) where: Base-Base interactions energy: -218.256 where: short stacking energy: -128.677 Base-Backbone interact. energy: -0.385 local terms energy: -245.240551 where: bonds (distance) C4'-P energy: -71.780 bonds (distance) P-C4' energy: -66.933 flat angles C4'-P-C4' energy: -63.224 flat angles P-C4'-P energy: -29.827 tors. eta vs tors. theta energy: -13.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -319.485503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.485503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.485503 (E_RNA) where: Base-Base interactions energy: -116.376 where: short stacking energy: -73.787 Base-Backbone interact. energy: -0.940 local terms energy: -202.169527 where: bonds (distance) C4'-P energy: -61.980 bonds (distance) P-C4' energy: -68.751 flat angles C4'-P-C4' energy: -62.678 flat angles P-C4'-P energy: -38.200 tors. eta vs tors. theta energy: 29.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1357.056089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.056089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.056089 (E_RNA) where: Base-Base interactions energy: -925.749 where: short stacking energy: -412.654 Base-Backbone interact. energy: -1.552 local terms energy: -429.754551 where: bonds (distance) C4'-P energy: -73.979 bonds (distance) P-C4' energy: -78.046 flat angles C4'-P-C4' energy: -89.178 flat angles P-C4'-P energy: -62.577 tors. eta vs tors. theta energy: -125.975 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: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1326.059792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.059792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.059792 (E_RNA) where: Base-Base interactions energy: -908.661 where: short stacking energy: -421.384 Base-Backbone interact. energy: -2.129 local terms energy: -415.269836 where: bonds (distance) C4'-P energy: -65.346 bonds (distance) P-C4' energy: -79.377 flat angles C4'-P-C4' energy: -91.748 flat angles P-C4'-P energy: -54.278 tors. eta vs tors. theta energy: -124.520 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: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1196.951872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.951872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.951872 (E_RNA) where: Base-Base interactions energy: -805.495 where: short stacking energy: -344.463 Base-Backbone interact. energy: 1.347 local terms energy: -392.803540 where: bonds (distance) C4'-P energy: -77.052 bonds (distance) P-C4' energy: -79.660 flat angles C4'-P-C4' energy: -77.049 flat angles P-C4'-P energy: -59.918 tors. eta vs tors. theta energy: -99.125 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: 9 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1103.187714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.187714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.187714 (E_RNA) where: Base-Base interactions energy: -715.932 where: short stacking energy: -327.553 Base-Backbone interact. energy: -2.403 local terms energy: -384.852358 where: bonds (distance) C4'-P energy: -75.682 bonds (distance) P-C4' energy: -77.337 flat angles C4'-P-C4' energy: -97.205 flat angles P-C4'-P energy: -40.834 tors. eta vs tors. theta energy: -93.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1004.869015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.869015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.869015 (E_RNA) where: Base-Base interactions energy: -650.281 where: short stacking energy: -309.280 Base-Backbone interact. energy: -0.530 local terms energy: -354.057734 where: bonds (distance) C4'-P energy: -74.399 bonds (distance) P-C4' energy: -69.198 flat angles C4'-P-C4' energy: -77.448 flat angles P-C4'-P energy: -42.639 tors. eta vs tors. theta energy: -90.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -879.699441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.699441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.699441 (E_RNA) where: Base-Base interactions energy: -557.319 where: short stacking energy: -272.648 Base-Backbone interact. energy: -0.103 local terms energy: -322.277088 where: bonds (distance) C4'-P energy: -69.640 bonds (distance) P-C4' energy: -64.288 flat angles C4'-P-C4' energy: -78.562 flat angles P-C4'-P energy: -44.583 tors. eta vs tors. theta energy: -65.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -749.362520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.362520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.362520 (E_RNA) where: Base-Base interactions energy: -451.935 where: short stacking energy: -202.572 Base-Backbone interact. energy: -0.814 local terms energy: -296.613722 where: bonds (distance) C4'-P energy: -74.422 bonds (distance) P-C4' energy: -70.698 flat angles C4'-P-C4' energy: -71.986 flat angles P-C4'-P energy: -37.643 tors. eta vs tors. theta energy: -41.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -683.827868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.827868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.827868 (E_RNA) where: Base-Base interactions energy: -419.160 where: short stacking energy: -184.516 Base-Backbone interact. energy: 0.247 local terms energy: -264.914946 where: bonds (distance) C4'-P energy: -69.051 bonds (distance) P-C4' energy: -68.325 flat angles C4'-P-C4' energy: -61.788 flat angles P-C4'-P energy: -30.406 tors. eta vs tors. theta energy: -35.344 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: 5 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -500.557579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.557579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.557579 (E_RNA) where: Base-Base interactions energy: -257.779 where: short stacking energy: -118.376 Base-Backbone interact. energy: 1.588 local terms energy: -244.366161 where: bonds (distance) C4'-P energy: -62.593 bonds (distance) P-C4' energy: -74.571 flat angles C4'-P-C4' energy: -60.732 flat angles P-C4'-P energy: -45.887 tors. eta vs tors. theta energy: -0.584 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: 6 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -363.564381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.564381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.564381 (E_RNA) where: Base-Base interactions energy: -180.303 where: short stacking energy: -97.910 Base-Backbone interact. energy: -0.674 local terms energy: -182.587681 where: bonds (distance) C4'-P energy: -48.481 bonds (distance) P-C4' energy: -61.324 flat angles C4'-P-C4' energy: -53.353 flat angles P-C4'-P energy: -34.073 tors. eta vs tors. theta energy: 14.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1357.428245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.428245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.428245 (E_RNA) where: Base-Base interactions energy: -935.052 where: short stacking energy: -420.227 Base-Backbone interact. energy: -1.799 local terms energy: -420.576411 where: bonds (distance) C4'-P energy: -69.629 bonds (distance) P-C4' energy: -79.621 flat angles C4'-P-C4' energy: -86.784 flat angles P-C4'-P energy: -54.739 tors. eta vs tors. theta energy: -129.803 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: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1314.325952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.325952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.325952 (E_RNA) where: Base-Base interactions energy: -883.156 where: short stacking energy: -389.291 Base-Backbone interact. energy: -3.980 local terms energy: -427.190344 where: bonds (distance) C4'-P energy: -73.083 bonds (distance) P-C4' energy: -88.501 flat angles C4'-P-C4' energy: -87.723 flat angles P-C4'-P energy: -60.727 tors. eta vs tors. theta energy: -117.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1220.545868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.545868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.545868 (E_RNA) where: Base-Base interactions energy: -820.527 where: short stacking energy: -371.909 Base-Backbone interact. energy: 1.102 local terms energy: -401.121455 where: bonds (distance) C4'-P energy: -76.064 bonds (distance) P-C4' energy: -72.267 flat angles C4'-P-C4' energy: -82.462 flat angles P-C4'-P energy: -51.722 tors. eta vs tors. theta energy: -118.606 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: 9 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1167.934845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.934845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.934845 (E_RNA) where: Base-Base interactions energy: -784.005 where: short stacking energy: -353.690 Base-Backbone interact. energy: 0.005 local terms energy: -383.935368 where: bonds (distance) C4'-P energy: -74.393 bonds (distance) P-C4' energy: -69.926 flat angles C4'-P-C4' energy: -86.721 flat angles P-C4'-P energy: -45.973 tors. eta vs tors. theta energy: -106.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -967.148649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.148649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.148649 (E_RNA) where: Base-Base interactions energy: -622.430 where: short stacking energy: -310.228 Base-Backbone interact. energy: 0.473 local terms energy: -345.191627 where: bonds (distance) C4'-P energy: -69.348 bonds (distance) P-C4' energy: -67.560 flat angles C4'-P-C4' energy: -86.555 flat angles P-C4'-P energy: -52.940 tors. eta vs tors. theta energy: -68.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -865.476422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.476422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.476422 (E_RNA) where: Base-Base interactions energy: -551.379 where: short stacking energy: -261.561 Base-Backbone interact. energy: -2.578 local terms energy: -311.518630 where: bonds (distance) C4'-P energy: -65.895 bonds (distance) P-C4' energy: -64.136 flat angles C4'-P-C4' energy: -72.612 flat angles P-C4'-P energy: -41.836 tors. eta vs tors. theta energy: -67.040 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: 10 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -768.463267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.463267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.463267 (E_RNA) where: Base-Base interactions energy: -476.054 where: short stacking energy: -222.876 Base-Backbone interact. energy: -0.764 local terms energy: -291.644776 where: bonds (distance) C4'-P energy: -70.818 bonds (distance) P-C4' energy: -71.520 flat angles C4'-P-C4' energy: -74.910 flat angles P-C4'-P energy: -39.310 tors. eta vs tors. theta energy: -35.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -783.388368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.388368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.388368 (E_RNA) where: Base-Base interactions energy: -496.942 where: short stacking energy: -238.038 Base-Backbone interact. energy: -0.142 local terms energy: -286.304554 where: bonds (distance) C4'-P energy: -54.925 bonds (distance) P-C4' energy: -57.848 flat angles C4'-P-C4' energy: -71.341 flat angles P-C4'-P energy: -40.797 tors. eta vs tors. theta energy: -61.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -513.972462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.972462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.972462 (E_RNA) where: Base-Base interactions energy: -262.256 where: short stacking energy: -149.105 Base-Backbone interact. energy: 0.121 local terms energy: -251.837748 where: bonds (distance) C4'-P energy: -65.250 bonds (distance) P-C4' energy: -76.952 flat angles C4'-P-C4' energy: -66.176 flat angles P-C4'-P energy: -28.082 tors. eta vs tors. theta energy: -15.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -369.837737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.837737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.837737 (E_RNA) where: Base-Base interactions energy: -152.410 where: short stacking energy: -76.153 Base-Backbone interact. energy: -2.033 local terms energy: -215.395110 where: bonds (distance) C4'-P energy: -63.731 bonds (distance) P-C4' energy: -75.508 flat angles C4'-P-C4' energy: -49.482 flat angles P-C4'-P energy: -39.716 tors. eta vs tors. theta energy: 13.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1353.525484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.525484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.525484 (E_RNA) where: Base-Base interactions energy: -935.773 where: short stacking energy: -395.632 Base-Backbone interact. energy: -1.722 local terms energy: -416.030090 where: bonds (distance) C4'-P energy: -70.516 bonds (distance) P-C4' energy: -79.414 flat angles C4'-P-C4' energy: -94.676 flat angles P-C4'-P energy: -50.242 tors. eta vs tors. theta energy: -121.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1335.041411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.041411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.041411 (E_RNA) where: Base-Base interactions energy: -929.864 where: short stacking energy: -418.721 Base-Backbone interact. energy: -1.935 local terms energy: -403.243070 where: bonds (distance) C4'-P energy: -73.831 bonds (distance) P-C4' energy: -66.802 flat angles C4'-P-C4' energy: -85.850 flat angles P-C4'-P energy: -56.383 tors. eta vs tors. theta energy: -120.377 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: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1223.730703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.730703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.730703 (E_RNA) where: Base-Base interactions energy: -827.678 where: short stacking energy: -353.671 Base-Backbone interact. energy: -0.831 local terms energy: -395.221121 where: bonds (distance) C4'-P energy: -65.673 bonds (distance) P-C4' energy: -79.576 flat angles C4'-P-C4' energy: -89.327 flat angles P-C4'-P energy: -53.562 tors. eta vs tors. theta energy: -107.083 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: 9 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1191.091893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.091893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.091893 (E_RNA) where: Base-Base interactions energy: -824.431 where: short stacking energy: -344.709 Base-Backbone interact. energy: -0.467 local terms energy: -366.193569 where: bonds (distance) C4'-P energy: -62.701 bonds (distance) P-C4' energy: -73.226 flat angles C4'-P-C4' energy: -86.619 flat angles P-C4'-P energy: -50.809 tors. eta vs tors. theta energy: -92.838 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: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -979.585443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.585443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.585443 (E_RNA) where: Base-Base interactions energy: -632.181 where: short stacking energy: -303.965 Base-Backbone interact. energy: 0.885 local terms energy: -348.289232 where: bonds (distance) C4'-P energy: -68.594 bonds (distance) P-C4' energy: -78.722 flat angles C4'-P-C4' energy: -73.917 flat angles P-C4'-P energy: -41.521 tors. eta vs tors. theta energy: -85.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -880.694571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.694571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.694571 (E_RNA) where: Base-Base interactions energy: -558.140 where: short stacking energy: -262.073 Base-Backbone interact. energy: -0.854 local terms energy: -321.700585 where: bonds (distance) C4'-P energy: -69.983 bonds (distance) P-C4' energy: -80.641 flat angles C4'-P-C4' energy: -75.484 flat angles P-C4'-P energy: -45.068 tors. eta vs tors. theta energy: -50.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -792.407302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.407302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.407302 (E_RNA) where: Base-Base interactions energy: -492.131 where: short stacking energy: -225.970 Base-Backbone interact. energy: -1.122 local terms energy: -299.154170 where: bonds (distance) C4'-P energy: -61.684 bonds (distance) P-C4' energy: -74.264 flat angles C4'-P-C4' energy: -62.479 flat angles P-C4'-P energy: -53.154 tors. eta vs tors. theta energy: -47.573 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: 10 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -741.995004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.995004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.995004 (E_RNA) where: Base-Base interactions energy: -451.308 where: short stacking energy: -202.041 Base-Backbone interact. energy: 1.302 local terms energy: -291.989331 where: bonds (distance) C4'-P energy: -71.263 bonds (distance) P-C4' energy: -60.422 flat angles C4'-P-C4' energy: -69.561 flat angles P-C4'-P energy: -48.408 tors. eta vs tors. theta energy: -42.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -481.344112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.344112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.344112 (E_RNA) where: Base-Base interactions energy: -245.904 where: short stacking energy: -160.217 Base-Backbone interact. energy: 0.386 local terms energy: -235.826762 where: bonds (distance) C4'-P energy: -58.504 bonds (distance) P-C4' energy: -60.783 flat angles C4'-P-C4' energy: -58.942 flat angles P-C4'-P energy: -42.728 tors. eta vs tors. theta energy: -14.869 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: 5 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -476.476636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.476636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.476636 (E_RNA) where: Base-Base interactions energy: -232.981 where: short stacking energy: -130.567 Base-Backbone interact. energy: 0.552 local terms energy: -244.047076 where: bonds (distance) C4'-P energy: -55.429 bonds (distance) P-C4' energy: -64.256 flat angles C4'-P-C4' energy: -68.939 flat angles P-C4'-P energy: -41.109 tors. eta vs tors. theta energy: -14.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1362.292473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.292473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.292473 (E_RNA) where: Base-Base interactions energy: -927.131 where: short stacking energy: -398.132 Base-Backbone interact. energy: -1.829 local terms energy: -433.333016 where: bonds (distance) C4'-P energy: -79.729 bonds (distance) P-C4' energy: -79.007 flat angles C4'-P-C4' energy: -90.438 flat angles P-C4'-P energy: -61.114 tors. eta vs tors. theta energy: -123.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1327.855541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.855541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.855541 (E_RNA) where: Base-Base interactions energy: -914.266 where: short stacking energy: -410.063 Base-Backbone interact. energy: 1.263 local terms energy: -414.852812 where: bonds (distance) C4'-P energy: -72.304 bonds (distance) P-C4' energy: -76.443 flat angles C4'-P-C4' energy: -83.502 flat angles P-C4'-P energy: -60.756 tors. eta vs tors. theta energy: -121.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1213.254185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.254185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.254185 (E_RNA) where: Base-Base interactions energy: -816.120 where: short stacking energy: -347.474 Base-Backbone interact. energy: -1.074 local terms energy: -396.059707 where: bonds (distance) C4'-P energy: -82.745 bonds (distance) P-C4' energy: -77.964 flat angles C4'-P-C4' energy: -84.966 flat angles P-C4'-P energy: -46.756 tors. eta vs tors. theta energy: -103.629 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: 9 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1204.868942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.868942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.868942 (E_RNA) where: Base-Base interactions energy: -815.663 where: short stacking energy: -371.516 Base-Backbone interact. energy: 1.714 local terms energy: -390.919899 where: bonds (distance) C4'-P energy: -59.109 bonds (distance) P-C4' energy: -72.539 flat angles C4'-P-C4' energy: -88.181 flat angles P-C4'-P energy: -61.649 tors. eta vs tors. theta energy: -109.442 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: 59 Temperature: 1.100000 Total energy: -935.150998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.150998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.150998 (E_RNA) where: Base-Base interactions energy: -606.396 where: short stacking energy: -285.012 Base-Backbone interact. energy: -1.543 local terms energy: -327.211665 where: bonds (distance) C4'-P energy: -69.261 bonds (distance) P-C4' energy: -70.122 flat angles C4'-P-C4' energy: -70.264 flat angles P-C4'-P energy: -45.475 tors. eta vs tors. theta energy: -72.090 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: 8 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -888.558765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.558765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.558765 (E_RNA) where: Base-Base interactions energy: -564.389 where: short stacking energy: -273.696 Base-Backbone interact. energy: -1.564 local terms energy: -322.605524 where: bonds (distance) C4'-P energy: -59.877 bonds (distance) P-C4' energy: -76.009 flat angles C4'-P-C4' energy: -71.362 flat angles P-C4'-P energy: -40.099 tors. eta vs tors. theta energy: -75.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -829.933239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.933239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.933239 (E_RNA) where: Base-Base interactions energy: -536.661 where: short stacking energy: -255.320 Base-Backbone interact. energy: -1.505 local terms energy: -291.767356 where: bonds (distance) C4'-P energy: -54.482 bonds (distance) P-C4' energy: -80.962 flat angles C4'-P-C4' energy: -62.433 flat angles P-C4'-P energy: -29.969 tors. eta vs tors. theta energy: -63.921 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: 10 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -725.175681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.175681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.175681 (E_RNA) where: Base-Base interactions energy: -447.287 where: short stacking energy: -217.389 Base-Backbone interact. energy: 1.733 local terms energy: -279.622485 where: bonds (distance) C4'-P energy: -70.215 bonds (distance) P-C4' energy: -53.781 flat angles C4'-P-C4' energy: -70.978 flat angles P-C4'-P energy: -41.191 tors. eta vs tors. theta energy: -43.458 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: 6 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -444.129475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.129475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.129475 (E_RNA) where: Base-Base interactions energy: -226.668 where: short stacking energy: -150.016 Base-Backbone interact. energy: -2.083 local terms energy: -215.377963 where: bonds (distance) C4'-P energy: -63.966 bonds (distance) P-C4' energy: -65.882 flat angles C4'-P-C4' energy: -55.797 flat angles P-C4'-P energy: -25.910 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: 10, replica: 5 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -373.835589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.835589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.835589 (E_RNA) where: Base-Base interactions energy: -178.443 where: short stacking energy: -114.180 Base-Backbone interact. energy: 7.362 local terms energy: -202.754267 where: bonds (distance) C4'-P energy: -64.449 bonds (distance) P-C4' energy: -61.157 flat angles C4'-P-C4' energy: -47.143 flat angles P-C4'-P energy: -24.888 tors. eta vs tors. theta energy: -5.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1363.238213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.238213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.238213 (E_RNA) where: Base-Base interactions energy: -930.923 where: short stacking energy: -415.713 Base-Backbone interact. energy: -3.290 local terms energy: -429.024365 where: bonds (distance) C4'-P energy: -69.335 bonds (distance) P-C4' energy: -83.472 flat angles C4'-P-C4' energy: -85.481 flat angles P-C4'-P energy: -66.460 tors. eta vs tors. theta energy: -124.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1340.738054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.738054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.738054 (E_RNA) where: Base-Base interactions energy: -916.881 where: short stacking energy: -410.090 Base-Backbone interact. energy: -2.351 local terms energy: -421.506308 where: bonds (distance) C4'-P energy: -81.262 bonds (distance) P-C4' energy: -71.490 flat angles C4'-P-C4' energy: -88.739 flat angles P-C4'-P energy: -60.578 tors. eta vs tors. theta energy: -119.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1174.804480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.804480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.804480 (E_RNA) where: Base-Base interactions energy: -804.949 where: short stacking energy: -343.595 Base-Backbone interact. energy: -1.828 local terms energy: -368.028096 where: bonds (distance) C4'-P energy: -81.306 bonds (distance) P-C4' energy: -66.437 flat angles C4'-P-C4' energy: -68.562 flat angles P-C4'-P energy: -58.619 tors. eta vs tors. theta energy: -93.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1172.398248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.398248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.398248 (E_RNA) where: Base-Base interactions energy: -789.905 where: short stacking energy: -366.013 Base-Backbone interact. energy: -2.145 local terms energy: -380.347648 where: bonds (distance) C4'-P energy: -64.330 bonds (distance) P-C4' energy: -77.830 flat angles C4'-P-C4' energy: -83.327 flat angles P-C4'-P energy: -49.154 tors. eta vs tors. theta energy: -105.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -968.996298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.996298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.996298 (E_RNA) where: Base-Base interactions energy: -619.697 where: short stacking energy: -309.773 Base-Backbone interact. energy: -2.556 local terms energy: -346.743205 where: bonds (distance) C4'-P energy: -69.863 bonds (distance) P-C4' energy: -71.000 flat angles C4'-P-C4' energy: -78.472 flat angles P-C4'-P energy: -52.484 tors. eta vs tors. theta energy: -74.924 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: 8 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -849.208005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.208005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.208005 (E_RNA) where: Base-Base interactions energy: -532.038 where: short stacking energy: -249.620 Base-Backbone interact. energy: -4.439 local terms energy: -312.730827 where: bonds (distance) C4'-P energy: -74.677 bonds (distance) P-C4' energy: -66.727 flat angles C4'-P-C4' energy: -68.280 flat angles P-C4'-P energy: -48.995 tors. eta vs tors. theta energy: -54.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -873.302904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.302904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.302904 (E_RNA) where: Base-Base interactions energy: -542.555 where: short stacking energy: -266.242 Base-Backbone interact. energy: -0.323 local terms energy: -330.424921 where: bonds (distance) C4'-P energy: -72.638 bonds (distance) P-C4' energy: -73.592 flat angles C4'-P-C4' energy: -74.775 flat angles P-C4'-P energy: -46.233 tors. eta vs tors. theta energy: -63.186 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: 10 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -776.422153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.422153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.422153 (E_RNA) where: Base-Base interactions energy: -499.217 where: short stacking energy: -239.227 Base-Backbone interact. energy: -1.715 local terms energy: -275.489962 where: bonds (distance) C4'-P energy: -66.274 bonds (distance) P-C4' energy: -58.307 flat angles C4'-P-C4' energy: -67.152 flat angles P-C4'-P energy: -34.755 tors. eta vs tors. theta energy: -49.003 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: 6 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -517.075259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.075259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.075259 (E_RNA) where: Base-Base interactions energy: -306.000 where: short stacking energy: -138.161 Base-Backbone interact. energy: 2.527 local terms energy: -213.602913 where: bonds (distance) C4'-P energy: -45.148 bonds (distance) P-C4' energy: -56.419 flat angles C4'-P-C4' energy: -57.670 flat angles P-C4'-P energy: -35.789 tors. eta vs tors. theta energy: -18.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -377.050481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.050481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.050481 (E_RNA) where: Base-Base interactions energy: -157.674 where: short stacking energy: -103.184 Base-Backbone interact. energy: 0.799 local terms energy: -220.176253 where: bonds (distance) C4'-P energy: -61.477 bonds (distance) P-C4' energy: -66.499 flat angles C4'-P-C4' energy: -72.350 flat angles P-C4'-P energy: -30.864 tors. eta vs tors. theta energy: 11.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1342.743124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.743124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.743124 (E_RNA) where: Base-Base interactions energy: -917.947 where: short stacking energy: -406.937 Base-Backbone interact. energy: -0.795 local terms energy: -424.001574 where: bonds (distance) C4'-P energy: -74.574 bonds (distance) P-C4' energy: -78.212 flat angles C4'-P-C4' energy: -89.281 flat angles P-C4'-P energy: -57.755 tors. eta vs tors. theta energy: -124.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1330.181504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.181504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.181504 (E_RNA) where: Base-Base interactions energy: -902.802 where: short stacking energy: -402.808 Base-Backbone interact. energy: -0.587 local terms energy: -426.792942 where: bonds (distance) C4'-P energy: -75.789 bonds (distance) P-C4' energy: -85.285 flat angles C4'-P-C4' energy: -80.866 flat angles P-C4'-P energy: -63.585 tors. eta vs tors. theta energy: -121.268 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: 1 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1196.915524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.915524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.915524 (E_RNA) where: Base-Base interactions energy: -803.075 where: short stacking energy: -352.286 Base-Backbone interact. energy: -1.849 local terms energy: -391.991550 where: bonds (distance) C4'-P energy: -74.303 bonds (distance) P-C4' energy: -78.857 flat angles C4'-P-C4' energy: -80.341 flat angles P-C4'-P energy: -55.036 tors. eta vs tors. theta energy: -103.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1156.936468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.936468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.936468 (E_RNA) where: Base-Base interactions energy: -753.399 where: short stacking energy: -331.207 Base-Backbone interact. energy: -1.468 local terms energy: -402.069093 where: bonds (distance) C4'-P energy: -82.310 bonds (distance) P-C4' energy: -76.200 flat angles C4'-P-C4' energy: -89.929 flat angles P-C4'-P energy: -63.983 tors. eta vs tors. theta energy: -89.647 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: 3 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -975.117557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.117557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.117557 (E_RNA) where: Base-Base interactions energy: -628.501 where: short stacking energy: -293.795 Base-Backbone interact. energy: -0.664 local terms energy: -345.952324 where: bonds (distance) C4'-P energy: -68.597 bonds (distance) P-C4' energy: -73.108 flat angles C4'-P-C4' energy: -77.966 flat angles P-C4'-P energy: -58.171 tors. eta vs tors. theta energy: -68.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -910.047302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.047302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.047302 (E_RNA) where: Base-Base interactions energy: -585.607 where: short stacking energy: -276.482 Base-Backbone interact. energy: -2.458 local terms energy: -321.981858 where: bonds (distance) C4'-P energy: -67.806 bonds (distance) P-C4' energy: -71.427 flat angles C4'-P-C4' energy: -78.619 flat angles P-C4'-P energy: -37.320 tors. eta vs tors. theta energy: -66.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -851.747123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.747123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.747123 (E_RNA) where: Base-Base interactions energy: -548.295 where: short stacking energy: -250.408 Base-Backbone interact. energy: -3.506 local terms energy: -299.946303 where: bonds (distance) C4'-P energy: -75.241 bonds (distance) P-C4' energy: -55.172 flat angles C4'-P-C4' energy: -75.455 flat angles P-C4'-P energy: -30.641 tors. eta vs tors. theta energy: -63.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -711.107235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.107235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.107235 (E_RNA) where: Base-Base interactions energy: -412.489 where: short stacking energy: -194.842 Base-Backbone interact. energy: 2.302 local terms energy: -300.920393 where: bonds (distance) C4'-P energy: -64.972 bonds (distance) P-C4' energy: -88.668 flat angles C4'-P-C4' energy: -67.929 flat angles P-C4'-P energy: -38.798 tors. eta vs tors. theta energy: -40.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -520.684565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.684565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.684565 (E_RNA) where: Base-Base interactions energy: -292.866 where: short stacking energy: -134.810 Base-Backbone interact. energy: -3.639 local terms energy: -224.179359 where: bonds (distance) C4'-P energy: -66.901 bonds (distance) P-C4' energy: -57.245 flat angles C4'-P-C4' energy: -52.771 flat angles P-C4'-P energy: -36.155 tors. eta vs tors. theta energy: -11.107 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: 5 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -349.003746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.003746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.003746 (E_RNA) where: Base-Base interactions energy: -141.204 where: short stacking energy: -92.303 Base-Backbone interact. energy: 1.096 local terms energy: -208.895665 where: bonds (distance) C4'-P energy: -54.838 bonds (distance) P-C4' energy: -62.284 flat angles C4'-P-C4' energy: -63.600 flat angles P-C4'-P energy: -30.244 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: 2 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1339.531561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.531561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.531561 (E_RNA) where: Base-Base interactions energy: -918.350 where: short stacking energy: -398.058 Base-Backbone interact. energy: -1.608 local terms energy: -419.573030 where: bonds (distance) C4'-P energy: -76.184 bonds (distance) P-C4' energy: -77.185 flat angles C4'-P-C4' energy: -87.895 flat angles P-C4'-P energy: -56.726 tors. eta vs tors. theta energy: -121.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1327.079054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.079054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.079054 (E_RNA) where: Base-Base interactions energy: -920.446 where: short stacking energy: -399.604 Base-Backbone interact. energy: -1.802 local terms energy: -404.830562 where: bonds (distance) C4'-P energy: -69.544 bonds (distance) P-C4' energy: -74.495 flat angles C4'-P-C4' energy: -87.265 flat angles P-C4'-P energy: -52.236 tors. eta vs tors. theta energy: -121.290 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: 1 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1209.191779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.191779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.191779 (E_RNA) where: Base-Base interactions energy: -810.198 where: short stacking energy: -356.418 Base-Backbone interact. energy: -3.379 local terms energy: -395.615026 where: bonds (distance) C4'-P energy: -68.972 bonds (distance) P-C4' energy: -79.034 flat angles C4'-P-C4' energy: -79.815 flat angles P-C4'-P energy: -56.803 tors. eta vs tors. theta energy: -110.991 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: 9 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1180.448332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.448332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.448332 (E_RNA) where: Base-Base interactions energy: -801.741 where: short stacking energy: -345.237 Base-Backbone interact. energy: -0.072 local terms energy: -378.635674 where: bonds (distance) C4'-P energy: -66.720 bonds (distance) P-C4' energy: -79.623 flat angles C4'-P-C4' energy: -77.165 flat angles P-C4'-P energy: -54.748 tors. eta vs tors. theta energy: -100.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -944.657143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.657143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.657143 (E_RNA) where: Base-Base interactions energy: -611.508 where: short stacking energy: -283.707 Base-Backbone interact. energy: -1.663 local terms energy: -331.485682 where: bonds (distance) C4'-P energy: -66.312 bonds (distance) P-C4' energy: -71.375 flat angles C4'-P-C4' energy: -64.462 flat angles P-C4'-P energy: -50.976 tors. eta vs tors. theta energy: -78.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -932.426488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.426488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.426488 (E_RNA) where: Base-Base interactions energy: -603.786 where: short stacking energy: -282.876 Base-Backbone interact. energy: -1.384 local terms energy: -327.256224 where: bonds (distance) C4'-P energy: -52.853 bonds (distance) P-C4' energy: -72.034 flat angles C4'-P-C4' energy: -78.515 flat angles P-C4'-P energy: -45.942 tors. eta vs tors. theta energy: -77.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -836.550298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.550298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.550298 (E_RNA) where: Base-Base interactions energy: -545.978 where: short stacking energy: -238.387 Base-Backbone interact. energy: -2.091 local terms energy: -288.480985 where: bonds (distance) C4'-P energy: -48.758 bonds (distance) P-C4' energy: -80.810 flat angles C4'-P-C4' energy: -66.275 flat angles P-C4'-P energy: -46.457 tors. eta vs tors. theta energy: -46.180 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: 10 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -655.183305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.183305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.183305 (E_RNA) where: Base-Base interactions energy: -392.381 where: short stacking energy: -188.205 Base-Backbone interact. energy: 2.178 local terms energy: -264.980933 where: bonds (distance) C4'-P energy: -54.095 bonds (distance) P-C4' energy: -81.941 flat angles C4'-P-C4' energy: -60.199 flat angles P-C4'-P energy: -39.787 tors. eta vs tors. theta energy: -28.959 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: 6 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -552.763092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.763092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.763092 (E_RNA) where: Base-Base interactions energy: -293.899 where: short stacking energy: -172.262 Base-Backbone interact. energy: 1.996 local terms energy: -260.860013 where: bonds (distance) C4'-P energy: -51.003 bonds (distance) P-C4' energy: -70.566 flat angles C4'-P-C4' energy: -72.170 flat angles P-C4'-P energy: -46.303 tors. eta vs tors. theta energy: -20.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -317.205924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.205924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.205924 (E_RNA) where: Base-Base interactions energy: -101.906 where: short stacking energy: -92.093 Base-Backbone interact. energy: -0.527 local terms energy: -214.773173 where: bonds (distance) C4'-P energy: -65.962 bonds (distance) P-C4' energy: -68.755 flat angles C4'-P-C4' energy: -68.267 flat angles P-C4'-P energy: -22.548 tors. eta vs tors. theta energy: 10.760 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: 2 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1351.711535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.711535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.711535 (E_RNA) where: Base-Base interactions energy: -928.506 where: short stacking energy: -380.374 Base-Backbone interact. energy: -1.328 local terms energy: -421.876879 where: bonds (distance) C4'-P energy: -84.192 bonds (distance) P-C4' energy: -84.364 flat angles C4'-P-C4' energy: -87.132 flat angles P-C4'-P energy: -50.723 tors. eta vs tors. theta energy: -115.466 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: 7 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1320.770332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.770332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.770332 (E_RNA) where: Base-Base interactions energy: -900.258 where: short stacking energy: -403.138 Base-Backbone interact. energy: -1.683 local terms energy: -418.829462 where: bonds (distance) C4'-P energy: -81.459 bonds (distance) P-C4' energy: -73.478 flat angles C4'-P-C4' energy: -84.596 flat angles P-C4'-P energy: -59.219 tors. eta vs tors. theta energy: -120.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1261.522305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.522305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.522305 (E_RNA) where: Base-Base interactions energy: -862.038 where: short stacking energy: -387.612 Base-Backbone interact. energy: -1.254 local terms energy: -398.230627 where: bonds (distance) C4'-P energy: -72.144 bonds (distance) P-C4' energy: -72.736 flat angles C4'-P-C4' energy: -78.656 flat angles P-C4'-P energy: -58.731 tors. eta vs tors. theta energy: -115.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1177.442324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.442324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.442324 (E_RNA) where: Base-Base interactions energy: -810.129 where: short stacking energy: -363.513 Base-Backbone interact. energy: -1.210 local terms energy: -366.103723 where: bonds (distance) C4'-P energy: -68.791 bonds (distance) P-C4' energy: -70.802 flat angles C4'-P-C4' energy: -77.626 flat angles P-C4'-P energy: -55.347 tors. eta vs tors. theta energy: -93.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -989.352120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.352120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.352120 (E_RNA) where: Base-Base interactions energy: -645.347 where: short stacking energy: -312.361 Base-Backbone interact. energy: -0.912 local terms energy: -343.092984 where: bonds (distance) C4'-P energy: -72.554 bonds (distance) P-C4' energy: -62.138 flat angles C4'-P-C4' energy: -82.553 flat angles P-C4'-P energy: -47.641 tors. eta vs tors. theta energy: -78.207 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: 6, replica: 3 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -975.025478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.025478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.025478 (E_RNA) where: Base-Base interactions energy: -667.765 where: short stacking energy: -286.412 Base-Backbone interact. energy: 1.107 local terms energy: -308.367427 where: bonds (distance) C4'-P energy: -71.960 bonds (distance) P-C4' energy: -60.157 flat angles C4'-P-C4' energy: -59.950 flat angles P-C4'-P energy: -40.667 tors. eta vs tors. theta energy: -75.633 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: 8 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -815.914354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.914354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.914354 (E_RNA) where: Base-Base interactions energy: -537.501 where: short stacking energy: -270.202 Base-Backbone interact. energy: 1.931 local terms energy: -280.344449 where: bonds (distance) C4'-P energy: -61.487 bonds (distance) P-C4' energy: -64.614 flat angles C4'-P-C4' energy: -60.698 flat angles P-C4'-P energy: -34.861 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: 8, replica: 10 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -716.341802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.341802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.341802 (E_RNA) where: Base-Base interactions energy: -458.210 where: short stacking energy: -221.379 Base-Backbone interact. energy: 0.949 local terms energy: -259.080579 where: bonds (distance) C4'-P energy: -47.859 bonds (distance) P-C4' energy: -82.052 flat angles C4'-P-C4' energy: -55.083 flat angles P-C4'-P energy: -37.517 tors. eta vs tors. theta energy: -36.569 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: 6 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -507.786344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.786344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.786344 (E_RNA) where: Base-Base interactions energy: -250.040 where: short stacking energy: -155.311 Base-Backbone interact. energy: 3.669 local terms energy: -261.415794 where: bonds (distance) C4'-P energy: -68.599 bonds (distance) P-C4' energy: -59.994 flat angles C4'-P-C4' energy: -68.439 flat angles P-C4'-P energy: -49.805 tors. eta vs tors. theta energy: -14.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -348.737973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.737973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.737973 (E_RNA) where: Base-Base interactions energy: -139.166 where: short stacking energy: -107.984 Base-Backbone interact. energy: 1.350 local terms energy: -210.922217 where: bonds (distance) C4'-P energy: -57.687 bonds (distance) P-C4' energy: -54.253 flat angles C4'-P-C4' energy: -58.991 flat angles P-C4'-P energy: -37.084 tors. eta vs tors. theta energy: -2.907 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: 2 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1370.285414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.285414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.285414 (E_RNA) where: Base-Base interactions energy: -936.208 where: short stacking energy: -387.245 Base-Backbone interact. energy: -0.856 local terms energy: -433.221638 where: bonds (distance) C4'-P energy: -76.278 bonds (distance) P-C4' energy: -87.295 flat angles C4'-P-C4' energy: -87.436 flat angles P-C4'-P energy: -55.710 tors. eta vs tors. theta energy: -126.503 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: 2, replica: 7 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1315.209249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.209249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.209249 (E_RNA) where: Base-Base interactions energy: -898.132 where: short stacking energy: -394.385 Base-Backbone interact. energy: -1.241 local terms energy: -415.835973 where: bonds (distance) C4'-P energy: -77.548 bonds (distance) P-C4' energy: -74.431 flat angles C4'-P-C4' energy: -86.590 flat angles P-C4'-P energy: -55.865 tors. eta vs tors. theta energy: -121.403 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: 64 Temperature: 1.000000 Total energy: -1222.131843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.131843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.131843 (E_RNA) where: Base-Base interactions energy: -836.636 where: short stacking energy: -402.442 Base-Backbone interact. energy: -0.585 local terms energy: -384.910380 where: bonds (distance) C4'-P energy: -73.918 bonds (distance) P-C4' energy: -68.188 flat angles C4'-P-C4' energy: -80.747 flat angles P-C4'-P energy: -42.206 tors. eta vs tors. theta energy: -119.852 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: 9 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1142.911120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.911120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.911120 (E_RNA) where: Base-Base interactions energy: -784.583 where: short stacking energy: -321.630 Base-Backbone interact. energy: -2.095 local terms energy: -356.233131 where: bonds (distance) C4'-P energy: -76.390 bonds (distance) P-C4' energy: -69.052 flat angles C4'-P-C4' energy: -80.508 flat angles P-C4'-P energy: -49.809 tors. eta vs tors. theta energy: -80.474 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: 64 Temperature: 1.100000 Total energy: -1046.550057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.550057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.550057 (E_RNA) where: Base-Base interactions energy: -667.983 where: short stacking energy: -307.570 Base-Backbone interact. energy: -1.711 local terms energy: -376.855400 where: bonds (distance) C4'-P energy: -79.984 bonds (distance) P-C4' energy: -75.993 flat angles C4'-P-C4' energy: -78.875 flat angles P-C4'-P energy: -52.895 tors. eta vs tors. theta energy: -89.109 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: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -931.584734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.584734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.584734 (E_RNA) where: Base-Base interactions energy: -600.572 where: short stacking energy: -278.671 Base-Backbone interact. energy: 0.871 local terms energy: -331.884650 where: bonds (distance) C4'-P energy: -58.768 bonds (distance) P-C4' energy: -69.816 flat angles C4'-P-C4' energy: -82.259 flat angles P-C4'-P energy: -46.055 tors. eta vs tors. theta energy: -74.986 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: 7, replica: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -886.440448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.440448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.440448 (E_RNA) where: Base-Base interactions energy: -604.283 where: short stacking energy: -260.147 Base-Backbone interact. energy: 1.193 local terms energy: -283.350664 where: bonds (distance) C4'-P energy: -47.287 bonds (distance) P-C4' energy: -69.570 flat angles C4'-P-C4' energy: -59.759 flat angles P-C4'-P energy: -43.830 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: 8, replica: 10 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -717.969043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.969043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.969043 (E_RNA) where: Base-Base interactions energy: -463.682 where: short stacking energy: -212.939 Base-Backbone interact. energy: 0.843 local terms energy: -255.130036 where: bonds (distance) C4'-P energy: -56.260 bonds (distance) P-C4' energy: -61.505 flat angles C4'-P-C4' energy: -57.013 flat angles P-C4'-P energy: -32.752 tors. eta vs tors. theta energy: -47.601 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: 6 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -451.629783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.629783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.629783 (E_RNA) where: Base-Base interactions energy: -220.472 where: short stacking energy: -125.960 Base-Backbone interact. energy: 0.864 local terms energy: -232.021563 where: bonds (distance) C4'-P energy: -66.118 bonds (distance) P-C4' energy: -71.802 flat angles C4'-P-C4' energy: -46.487 flat angles P-C4'-P energy: -33.833 tors. eta vs tors. theta energy: -13.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -377.286020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.286020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.286020 (E_RNA) where: Base-Base interactions energy: -150.639 where: short stacking energy: -107.220 Base-Backbone interact. energy: -0.726 local terms energy: -225.920767 where: bonds (distance) C4'-P energy: -70.937 bonds (distance) P-C4' energy: -75.697 flat angles C4'-P-C4' energy: -48.354 flat angles P-C4'-P energy: -31.856 tors. eta vs tors. theta energy: 0.923 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: 2 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1338.153335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.153335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.153335 (E_RNA) where: Base-Base interactions energy: -917.210 where: short stacking energy: -387.374 Base-Backbone interact. energy: -1.196 local terms energy: -419.747266 where: bonds (distance) C4'-P energy: -84.009 bonds (distance) P-C4' energy: -76.692 flat angles C4'-P-C4' energy: -95.300 flat angles P-C4'-P energy: -54.549 tors. eta vs tors. theta energy: -109.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1330.061737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.061737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.061737 (E_RNA) where: Base-Base interactions energy: -926.524 where: short stacking energy: -417.860 Base-Backbone interact. energy: -0.545 local terms energy: -402.992686 where: bonds (distance) C4'-P energy: -76.929 bonds (distance) P-C4' energy: -70.532 flat angles C4'-P-C4' energy: -85.052 flat angles P-C4'-P energy: -52.936 tors. eta vs tors. theta energy: -117.544 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: 1 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1226.837478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.837478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.837478 (E_RNA) where: Base-Base interactions energy: -812.370 where: short stacking energy: -385.345 Base-Backbone interact. energy: 0.086 local terms energy: -414.553474 where: bonds (distance) C4'-P energy: -69.638 bonds (distance) P-C4' energy: -80.604 flat angles C4'-P-C4' energy: -87.675 flat angles P-C4'-P energy: -62.198 tors. eta vs tors. theta energy: -114.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1144.325586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.325586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.325586 (E_RNA) where: Base-Base interactions energy: -783.514 where: short stacking energy: -342.191 Base-Backbone interact. energy: -1.597 local terms energy: -359.215291 where: bonds (distance) C4'-P energy: -79.981 bonds (distance) P-C4' energy: -59.547 flat angles C4'-P-C4' energy: -74.374 flat angles P-C4'-P energy: -52.323 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: 5, replica: 4 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1002.648990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.648990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.648990 (E_RNA) where: Base-Base interactions energy: -641.290 where: short stacking energy: -309.874 Base-Backbone interact. energy: -1.670 local terms energy: -359.689154 where: bonds (distance) C4'-P energy: -70.786 bonds (distance) P-C4' energy: -70.943 flat angles C4'-P-C4' energy: -84.321 flat angles P-C4'-P energy: -54.117 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: 6, replica: 8 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -933.175898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.175898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.175898 (E_RNA) where: Base-Base interactions energy: -620.205 where: short stacking energy: -264.416 Base-Backbone interact. energy: -3.081 local terms energy: -309.889332 where: bonds (distance) C4'-P energy: -61.799 bonds (distance) P-C4' energy: -65.450 flat angles C4'-P-C4' energy: -79.278 flat angles P-C4'-P energy: -48.599 tors. eta vs tors. theta energy: -54.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -848.762491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.762491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.762491 (E_RNA) where: Base-Base interactions energy: -531.431 where: short stacking energy: -235.797 Base-Backbone interact. energy: 0.218 local terms energy: -317.549568 where: bonds (distance) C4'-P energy: -74.148 bonds (distance) P-C4' energy: -79.545 flat angles C4'-P-C4' energy: -68.816 flat angles P-C4'-P energy: -35.937 tors. eta vs tors. theta energy: -59.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -661.739907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.739907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.739907 (E_RNA) where: Base-Base interactions energy: -401.135 where: short stacking energy: -191.834 Base-Backbone interact. energy: 0.030 local terms energy: -260.635134 where: bonds (distance) C4'-P energy: -63.461 bonds (distance) P-C4' energy: -59.589 flat angles C4'-P-C4' energy: -59.161 flat angles P-C4'-P energy: -43.554 tors. eta vs tors. theta energy: -34.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -427.758730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.758730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.758730 (E_RNA) where: Base-Base interactions energy: -191.479 where: short stacking energy: -121.682 Base-Backbone interact. energy: -2.860 local terms energy: -233.420344 where: bonds (distance) C4'-P energy: -69.493 bonds (distance) P-C4' energy: -68.602 flat angles C4'-P-C4' energy: -60.254 flat angles P-C4'-P energy: -40.272 tors. eta vs tors. theta energy: 5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -336.380298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.380298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.380298 (E_RNA) where: Base-Base interactions energy: -148.762 where: short stacking energy: -117.109 Base-Backbone interact. energy: 3.120 local terms energy: -190.737511 where: bonds (distance) C4'-P energy: -60.865 bonds (distance) P-C4' energy: -50.802 flat angles C4'-P-C4' energy: -47.325 flat angles P-C4'-P energy: -43.570 tors. eta vs tors. theta energy: 11.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1362.318626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.318626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.318626 (E_RNA) where: Base-Base interactions energy: -945.194 where: short stacking energy: -417.787 Base-Backbone interact. energy: -1.640 local terms energy: -415.484884 where: bonds (distance) C4'-P energy: -62.443 bonds (distance) P-C4' energy: -83.431 flat angles C4'-P-C4' energy: -89.077 flat angles P-C4'-P energy: -60.928 tors. eta vs tors. theta energy: -119.606 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: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1339.002322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.002322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.002322 (E_RNA) where: Base-Base interactions energy: -928.202 where: short stacking energy: -395.396 Base-Backbone interact. energy: 3.643 local terms energy: -414.443662 where: bonds (distance) C4'-P energy: -70.877 bonds (distance) P-C4' energy: -73.816 flat angles C4'-P-C4' energy: -89.120 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -113.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1219.576215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.576215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.576215 (E_RNA) where: Base-Base interactions energy: -843.436 where: short stacking energy: -374.941 Base-Backbone interact. energy: -2.278 local terms energy: -373.862717 where: bonds (distance) C4'-P energy: -58.187 bonds (distance) P-C4' energy: -60.873 flat angles C4'-P-C4' energy: -87.292 flat angles P-C4'-P energy: -55.005 tors. eta vs tors. theta energy: -112.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1139.824424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.824424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.824424 (E_RNA) where: Base-Base interactions energy: -778.723 where: short stacking energy: -326.023 Base-Backbone interact. energy: -1.773 local terms energy: -359.328818 where: bonds (distance) C4'-P energy: -74.920 bonds (distance) P-C4' energy: -77.983 flat angles C4'-P-C4' energy: -72.533 flat angles P-C4'-P energy: -47.445 tors. eta vs tors. theta energy: -86.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -983.900116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.900116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.900116 (E_RNA) where: Base-Base interactions energy: -653.164 where: short stacking energy: -302.062 Base-Backbone interact. energy: -0.645 local terms energy: -330.091466 where: bonds (distance) C4'-P energy: -59.509 bonds (distance) P-C4' energy: -71.101 flat angles C4'-P-C4' energy: -74.475 flat angles P-C4'-P energy: -46.631 tors. eta vs tors. theta energy: -78.376 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: 6, replica: 8 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -974.426223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.426223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.426223 (E_RNA) where: Base-Base interactions energy: -641.834 where: short stacking energy: -257.641 Base-Backbone interact. energy: 0.222 local terms energy: -332.814312 where: bonds (distance) C4'-P energy: -73.483 bonds (distance) P-C4' energy: -78.280 flat angles C4'-P-C4' energy: -76.339 flat angles P-C4'-P energy: -44.848 tors. eta vs tors. theta energy: -59.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -859.217317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.217317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.217317 (E_RNA) where: Base-Base interactions energy: -544.636 where: short stacking energy: -257.470 Base-Backbone interact. energy: -2.900 local terms energy: -311.682151 where: bonds (distance) C4'-P energy: -61.294 bonds (distance) P-C4' energy: -69.650 flat angles C4'-P-C4' energy: -64.704 flat angles P-C4'-P energy: -48.947 tors. eta vs tors. theta energy: -67.086 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: 8, replica: 10 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -703.083029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.083029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.083029 (E_RNA) where: Base-Base interactions energy: -411.430 where: short stacking energy: -195.622 Base-Backbone interact. energy: -1.146 local terms energy: -290.507174 where: bonds (distance) C4'-P energy: -66.742 bonds (distance) P-C4' energy: -70.075 flat angles C4'-P-C4' energy: -68.469 flat angles P-C4'-P energy: -46.551 tors. eta vs tors. theta energy: -38.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -416.487893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.487893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.487893 (E_RNA) where: Base-Base interactions energy: -199.352 where: short stacking energy: -129.224 Base-Backbone interact. energy: -2.114 local terms energy: -215.021558 where: bonds (distance) C4'-P energy: -53.160 bonds (distance) P-C4' energy: -66.330 flat angles C4'-P-C4' energy: -62.449 flat angles P-C4'-P energy: -36.414 tors. eta vs tors. theta energy: 3.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -350.380109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.380109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.380109 (E_RNA) where: Base-Base interactions energy: -128.830 where: short stacking energy: -102.719 Base-Backbone interact. energy: -2.679 local terms energy: -218.871290 where: bonds (distance) C4'-P energy: -60.711 bonds (distance) P-C4' energy: -70.955 flat angles C4'-P-C4' energy: -52.945 flat angles P-C4'-P energy: -44.939 tors. eta vs tors. theta energy: 10.679 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: 1, replica: 7 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1353.456302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.456302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.456302 (E_RNA) where: Base-Base interactions energy: -932.644 where: short stacking energy: -422.118 Base-Backbone interact. energy: -0.775 local terms energy: -420.036599 where: bonds (distance) C4'-P energy: -72.836 bonds (distance) P-C4' energy: -77.984 flat angles C4'-P-C4' energy: -88.589 flat angles P-C4'-P energy: -51.933 tors. eta vs tors. theta energy: -128.695 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: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1364.591916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.591916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.591916 (E_RNA) where: Base-Base interactions energy: -934.789 where: short stacking energy: -390.660 Base-Backbone interact. energy: -1.501 local terms energy: -428.301544 where: bonds (distance) C4'-P energy: -81.604 bonds (distance) P-C4' energy: -85.622 flat angles C4'-P-C4' energy: -85.926 flat angles P-C4'-P energy: -59.239 tors. eta vs tors. theta energy: -115.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1214.032632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.032632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.032632 (E_RNA) where: Base-Base interactions energy: -834.095 where: short stacking energy: -366.052 Base-Backbone interact. energy: -3.865 local terms energy: -376.071876 where: bonds (distance) C4'-P energy: -75.709 bonds (distance) P-C4' energy: -69.610 flat angles C4'-P-C4' energy: -72.950 flat angles P-C4'-P energy: -59.305 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: 4, replica: 9 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1141.558225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.558225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.558225 (E_RNA) where: Base-Base interactions energy: -774.725 where: short stacking energy: -338.536 Base-Backbone interact. energy: -1.435 local terms energy: -365.398130 where: bonds (distance) C4'-P energy: -66.836 bonds (distance) P-C4' energy: -75.543 flat angles C4'-P-C4' energy: -82.076 flat angles P-C4'-P energy: -51.105 tors. eta vs tors. theta energy: -89.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -964.807795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.807795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.807795 (E_RNA) where: Base-Base interactions energy: -618.667 where: short stacking energy: -276.406 Base-Backbone interact. energy: -1.785 local terms energy: -344.355852 where: bonds (distance) C4'-P energy: -61.938 bonds (distance) P-C4' energy: -83.087 flat angles C4'-P-C4' energy: -75.390 flat angles P-C4'-P energy: -47.927 tors. eta vs tors. theta energy: -76.015 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: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -953.279842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.279842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.279842 (E_RNA) where: Base-Base interactions energy: -615.649 where: short stacking energy: -257.299 Base-Backbone interact. energy: -3.531 local terms energy: -334.099883 where: bonds (distance) C4'-P energy: -76.876 bonds (distance) P-C4' energy: -75.196 flat angles C4'-P-C4' energy: -67.599 flat angles P-C4'-P energy: -51.287 tors. eta vs tors. theta energy: -63.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -888.938401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.938401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.938401 (E_RNA) where: Base-Base interactions energy: -562.949 where: short stacking energy: -276.573 Base-Backbone interact. energy: -0.808 local terms energy: -325.181417 where: bonds (distance) C4'-P energy: -56.359 bonds (distance) P-C4' energy: -72.540 flat angles C4'-P-C4' energy: -76.841 flat angles P-C4'-P energy: -48.806 tors. eta vs tors. theta energy: -70.635 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: 67 Temperature: 1.250000 Total energy: -724.818153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.818153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.818153 (E_RNA) where: Base-Base interactions energy: -459.774 where: short stacking energy: -197.053 Base-Backbone interact. energy: -0.347 local terms energy: -264.697381 where: bonds (distance) C4'-P energy: -56.632 bonds (distance) P-C4' energy: -72.397 flat angles C4'-P-C4' energy: -55.703 flat angles P-C4'-P energy: -36.418 tors. eta vs tors. theta energy: -43.547 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: 6 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -440.989730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.989730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.989730 (E_RNA) where: Base-Base interactions energy: -205.560 where: short stacking energy: -139.476 Base-Backbone interact. energy: 0.123 local terms energy: -235.552038 where: bonds (distance) C4'-P energy: -66.523 bonds (distance) P-C4' energy: -66.529 flat angles C4'-P-C4' energy: -54.989 flat angles P-C4'-P energy: -40.136 tors. eta vs tors. theta energy: -7.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -347.848949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.848949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.848949 (E_RNA) where: Base-Base interactions energy: -160.323 where: short stacking energy: -119.868 Base-Backbone interact. energy: -0.297 local terms energy: -187.228485 where: bonds (distance) C4'-P energy: -59.865 bonds (distance) P-C4' energy: -55.106 flat angles C4'-P-C4' energy: -41.741 flat angles P-C4'-P energy: -33.163 tors. eta vs tors. theta energy: 2.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1346.214156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.214156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.214156 (E_RNA) where: Base-Base interactions energy: -927.060 where: short stacking energy: -391.718 Base-Backbone interact. energy: -1.181 local terms energy: -417.973378 where: bonds (distance) C4'-P energy: -76.022 bonds (distance) P-C4' energy: -83.178 flat angles C4'-P-C4' energy: -89.363 flat angles P-C4'-P energy: -46.086 tors. eta vs tors. theta energy: -123.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1347.233252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.233252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.233252 (E_RNA) where: Base-Base interactions energy: -938.808 where: short stacking energy: -398.267 Base-Backbone interact. energy: -0.866 local terms energy: -407.560019 where: bonds (distance) C4'-P energy: -68.593 bonds (distance) P-C4' energy: -75.973 flat angles C4'-P-C4' energy: -90.302 flat angles P-C4'-P energy: -60.751 tors. eta vs tors. theta energy: -111.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1227.222693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.222693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.222693 (E_RNA) where: Base-Base interactions energy: -799.815 where: short stacking energy: -361.288 Base-Backbone interact. energy: -1.523 local terms energy: -425.885039 where: bonds (distance) C4'-P energy: -89.228 bonds (distance) P-C4' energy: -77.579 flat angles C4'-P-C4' energy: -89.932 flat angles P-C4'-P energy: -55.349 tors. eta vs tors. theta energy: -113.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1115.658197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.658197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.658197 (E_RNA) where: Base-Base interactions energy: -780.877 where: short stacking energy: -319.956 Base-Backbone interact. energy: -0.277 local terms energy: -334.504632 where: bonds (distance) C4'-P energy: -58.912 bonds (distance) P-C4' energy: -66.725 flat angles C4'-P-C4' energy: -76.728 flat angles P-C4'-P energy: -44.927 tors. eta vs tors. theta energy: -87.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -969.623409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.623409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.623409 (E_RNA) where: Base-Base interactions energy: -631.311 where: short stacking energy: -297.985 Base-Backbone interact. energy: -2.331 local terms energy: -335.981895 where: bonds (distance) C4'-P energy: -68.324 bonds (distance) P-C4' energy: -63.360 flat angles C4'-P-C4' energy: -76.658 flat angles P-C4'-P energy: -45.684 tors. eta vs tors. theta energy: -81.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -935.164552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.164552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.164552 (E_RNA) where: Base-Base interactions energy: -629.742 where: short stacking energy: -257.923 Base-Backbone interact. energy: -3.011 local terms energy: -302.411688 where: bonds (distance) C4'-P energy: -63.436 bonds (distance) P-C4' energy: -60.654 flat angles C4'-P-C4' energy: -81.060 flat angles P-C4'-P energy: -33.703 tors. eta vs tors. theta energy: -63.558 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: 3 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -813.978001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.978001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.978001 (E_RNA) where: Base-Base interactions energy: -481.527 where: short stacking energy: -228.915 Base-Backbone interact. energy: -2.261 local terms energy: -330.190743 where: bonds (distance) C4'-P energy: -64.975 bonds (distance) P-C4' energy: -84.390 flat angles C4'-P-C4' energy: -75.427 flat angles P-C4'-P energy: -44.395 tors. eta vs tors. theta energy: -61.003 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: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -664.860185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.860185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.860185 (E_RNA) where: Base-Base interactions energy: -387.241 where: short stacking energy: -161.197 Base-Backbone interact. energy: -1.935 local terms energy: -275.684114 where: bonds (distance) C4'-P energy: -55.883 bonds (distance) P-C4' energy: -80.659 flat angles C4'-P-C4' energy: -71.290 flat angles P-C4'-P energy: -47.390 tors. eta vs tors. theta energy: -20.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -408.758463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.758463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.758463 (E_RNA) where: Base-Base interactions energy: -178.612 where: short stacking energy: -103.218 Base-Backbone interact. energy: -0.323 local terms energy: -229.823400 where: bonds (distance) C4'-P energy: -60.772 bonds (distance) P-C4' energy: -78.907 flat angles C4'-P-C4' energy: -63.550 flat angles P-C4'-P energy: -33.267 tors. eta vs tors. theta energy: 6.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -341.956466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.956466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.956466 (E_RNA) where: Base-Base interactions energy: -138.521 where: short stacking energy: -115.145 Base-Backbone interact. energy: -0.753 local terms energy: -202.682172 where: bonds (distance) C4'-P energy: -53.878 bonds (distance) P-C4' energy: -61.729 flat angles C4'-P-C4' energy: -45.164 flat angles P-C4'-P energy: -39.715 tors. eta vs tors. theta energy: -2.195 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: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1388.731263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.731263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.731263 (E_RNA) where: Base-Base interactions energy: -967.576 where: short stacking energy: -449.354 Base-Backbone interact. energy: -0.755 local terms energy: -420.399897 where: bonds (distance) C4'-P energy: -66.192 bonds (distance) P-C4' energy: -82.759 flat angles C4'-P-C4' energy: -87.480 flat angles P-C4'-P energy: -56.680 tors. eta vs tors. theta energy: -127.289 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: 2 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1325.032195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.032195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.032195 (E_RNA) where: Base-Base interactions energy: -923.875 where: short stacking energy: -399.358 Base-Backbone interact. energy: -2.280 local terms energy: -398.877336 where: bonds (distance) C4'-P energy: -73.917 bonds (distance) P-C4' energy: -77.917 flat angles C4'-P-C4' energy: -91.520 flat angles P-C4'-P energy: -41.423 tors. eta vs tors. theta energy: -114.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1229.975151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.975151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.975151 (E_RNA) where: Base-Base interactions energy: -840.277 where: short stacking energy: -370.339 Base-Backbone interact. energy: -3.086 local terms energy: -386.612092 where: bonds (distance) C4'-P energy: -79.401 bonds (distance) P-C4' energy: -60.688 flat angles C4'-P-C4' energy: -75.030 flat angles P-C4'-P energy: -51.567 tors. eta vs tors. theta energy: -119.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1134.034310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.034310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.034310 (E_RNA) where: Base-Base interactions energy: -756.914 where: short stacking energy: -331.477 Base-Backbone interact. energy: -2.745 local terms energy: -374.375602 where: bonds (distance) C4'-P energy: -82.920 bonds (distance) P-C4' energy: -72.791 flat angles C4'-P-C4' energy: -76.928 flat angles P-C4'-P energy: -52.845 tors. eta vs tors. theta energy: -88.891 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: 69 Temperature: 1.100000 Total energy: -982.893488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.893488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.893488 (E_RNA) where: Base-Base interactions energy: -636.665 where: short stacking energy: -305.510 Base-Backbone interact. energy: -0.223 local terms energy: -346.005547 where: bonds (distance) C4'-P energy: -58.631 bonds (distance) P-C4' energy: -70.333 flat angles C4'-P-C4' energy: -79.262 flat angles P-C4'-P energy: -51.106 tors. eta vs tors. theta energy: -86.675 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: 8 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -943.903533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.903533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.903533 (E_RNA) where: Base-Base interactions energy: -603.845 where: short stacking energy: -269.594 Base-Backbone interact. energy: -2.515 local terms energy: -337.543720 where: bonds (distance) C4'-P energy: -78.475 bonds (distance) P-C4' energy: -78.660 flat angles C4'-P-C4' energy: -73.174 flat angles P-C4'-P energy: -45.425 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: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -829.452998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.452998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.452998 (E_RNA) where: Base-Base interactions energy: -516.292 where: short stacking energy: -258.711 Base-Backbone interact. energy: -1.200 local terms energy: -311.960753 where: bonds (distance) C4'-P energy: -70.129 bonds (distance) P-C4' energy: -68.104 flat angles C4'-P-C4' energy: -64.746 flat angles P-C4'-P energy: -49.267 tors. eta vs tors. theta energy: -59.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -673.398404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.398404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.398404 (E_RNA) where: Base-Base interactions energy: -405.140 where: short stacking energy: -201.096 Base-Backbone interact. energy: 2.356 local terms energy: -270.614456 where: bonds (distance) C4'-P energy: -59.836 bonds (distance) P-C4' energy: -65.981 flat angles C4'-P-C4' energy: -66.928 flat angles P-C4'-P energy: -40.945 tors. eta vs tors. theta energy: -36.925 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: 6 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -404.477223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.477223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.477223 (E_RNA) where: Base-Base interactions energy: -176.510 where: short stacking energy: -108.296 Base-Backbone interact. energy: -1.266 local terms energy: -226.701066 where: bonds (distance) C4'-P energy: -58.509 bonds (distance) P-C4' energy: -83.189 flat angles C4'-P-C4' energy: -56.447 flat angles P-C4'-P energy: -33.286 tors. eta vs tors. theta energy: 4.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -340.319809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.319809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.319809 (E_RNA) where: Base-Base interactions energy: -134.244 where: short stacking energy: -104.639 Base-Backbone interact. energy: 0.788 local terms energy: -206.863573 where: bonds (distance) C4'-P energy: -67.971 bonds (distance) P-C4' energy: -60.891 flat angles C4'-P-C4' energy: -37.667 flat angles P-C4'-P energy: -37.048 tors. eta vs tors. theta energy: -3.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1358.366198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.366198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.366198 (E_RNA) where: Base-Base interactions energy: -913.958 where: short stacking energy: -409.530 Base-Backbone interact. energy: -1.054 local terms energy: -443.354554 where: bonds (distance) C4'-P energy: -83.378 bonds (distance) P-C4' energy: -84.744 flat angles C4'-P-C4' energy: -86.004 flat angles P-C4'-P energy: -60.981 tors. eta vs tors. theta energy: -128.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1323.783397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.783397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.783397 (E_RNA) where: Base-Base interactions energy: -908.794 where: short stacking energy: -419.796 Base-Backbone interact. energy: 0.521 local terms energy: -415.510712 where: bonds (distance) C4'-P energy: -71.086 bonds (distance) P-C4' energy: -79.367 flat angles C4'-P-C4' energy: -90.644 flat angles P-C4'-P energy: -57.556 tors. eta vs tors. theta energy: -116.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1220.853860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.853860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.853860 (E_RNA) where: Base-Base interactions energy: -804.206 where: short stacking energy: -370.255 Base-Backbone interact. energy: -0.491 local terms energy: -416.156567 where: bonds (distance) C4'-P energy: -82.864 bonds (distance) P-C4' energy: -70.300 flat angles C4'-P-C4' energy: -81.984 flat angles P-C4'-P energy: -67.193 tors. eta vs tors. theta energy: -113.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1138.071188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.071188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.071188 (E_RNA) where: Base-Base interactions energy: -767.122 where: short stacking energy: -333.365 Base-Backbone interact. energy: -0.784 local terms energy: -370.165270 where: bonds (distance) C4'-P energy: -85.978 bonds (distance) P-C4' energy: -75.933 flat angles C4'-P-C4' energy: -71.940 flat angles P-C4'-P energy: -48.559 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: 5, replica: 4 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1010.918058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.918058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.918058 (E_RNA) where: Base-Base interactions energy: -647.455 where: short stacking energy: -312.633 Base-Backbone interact. energy: -0.524 local terms energy: -362.939238 where: bonds (distance) C4'-P energy: -74.795 bonds (distance) P-C4' energy: -67.611 flat angles C4'-P-C4' energy: -85.103 flat angles P-C4'-P energy: -51.219 tors. eta vs tors. theta energy: -84.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -946.730785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.730785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.730785 (E_RNA) where: Base-Base interactions energy: -627.900 where: short stacking energy: -276.965 Base-Backbone interact. energy: -0.393 local terms energy: -318.438256 where: bonds (distance) C4'-P energy: -61.828 bonds (distance) P-C4' energy: -71.471 flat angles C4'-P-C4' energy: -72.106 flat angles P-C4'-P energy: -44.465 tors. eta vs tors. theta energy: -68.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -779.154402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.154402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.154402 (E_RNA) where: Base-Base interactions energy: -469.849 where: short stacking energy: -242.054 Base-Backbone interact. energy: -0.533 local terms energy: -308.772488 where: bonds (distance) C4'-P energy: -79.668 bonds (distance) P-C4' energy: -61.748 flat angles C4'-P-C4' energy: -57.326 flat angles P-C4'-P energy: -53.297 tors. eta vs tors. theta energy: -56.734 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: 10 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -652.279666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.279666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.279666 (E_RNA) where: Base-Base interactions energy: -408.046 where: short stacking energy: -194.057 Base-Backbone interact. energy: 8.174 local terms energy: -252.407599 where: bonds (distance) C4'-P energy: -49.222 bonds (distance) P-C4' energy: -70.530 flat angles C4'-P-C4' energy: -68.513 flat angles P-C4'-P energy: -41.997 tors. eta vs tors. theta energy: -22.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -482.613870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.613870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.613870 (E_RNA) where: Base-Base interactions energy: -246.122 where: short stacking energy: -140.045 Base-Backbone interact. energy: -0.226 local terms energy: -236.265532 where: bonds (distance) C4'-P energy: -63.733 bonds (distance) P-C4' energy: -71.287 flat angles C4'-P-C4' energy: -42.346 flat angles P-C4'-P energy: -43.352 tors. eta vs tors. theta energy: -15.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -323.923156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.923156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.923156 (E_RNA) where: Base-Base interactions energy: -115.126 where: short stacking energy: -100.102 Base-Backbone interact. energy: 5.527 local terms energy: -214.323636 where: bonds (distance) C4'-P energy: -69.515 bonds (distance) P-C4' energy: -69.749 flat angles C4'-P-C4' energy: -55.128 flat angles P-C4'-P energy: -34.112 tors. eta vs tors. theta energy: 14.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1349.093208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.093208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.093208 (E_RNA) where: Base-Base interactions energy: -929.011 where: short stacking energy: -427.847 Base-Backbone interact. energy: -0.501 local terms energy: -419.580795 where: bonds (distance) C4'-P energy: -77.734 bonds (distance) P-C4' energy: -79.900 flat angles C4'-P-C4' energy: -78.059 flat angles P-C4'-P energy: -54.177 tors. eta vs tors. theta energy: -129.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1324.598856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.598856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.598856 (E_RNA) where: Base-Base interactions energy: -907.237 where: short stacking energy: -404.268 Base-Backbone interact. energy: -1.386 local terms energy: -415.976405 where: bonds (distance) C4'-P energy: -72.457 bonds (distance) P-C4' energy: -78.307 flat angles C4'-P-C4' energy: -85.828 flat angles P-C4'-P energy: -60.089 tors. eta vs tors. theta energy: -119.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1259.659832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.659832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.659832 (E_RNA) where: Base-Base interactions energy: -850.665 where: short stacking energy: -367.857 Base-Backbone interact. energy: 0.835 local terms energy: -409.829719 where: bonds (distance) C4'-P energy: -84.520 bonds (distance) P-C4' energy: -69.119 flat angles C4'-P-C4' energy: -85.296 flat angles P-C4'-P energy: -49.687 tors. eta vs tors. theta energy: -121.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1147.442041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.442041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.442041 (E_RNA) where: Base-Base interactions energy: -796.743 where: short stacking energy: -337.848 Base-Backbone interact. energy: -1.545 local terms energy: -349.154045 where: bonds (distance) C4'-P energy: -61.590 bonds (distance) P-C4' energy: -75.292 flat angles C4'-P-C4' energy: -72.265 flat angles P-C4'-P energy: -51.150 tors. eta vs tors. theta energy: -88.857 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: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1006.633131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.633131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.633131 (E_RNA) where: Base-Base interactions energy: -647.958 where: short stacking energy: -306.283 Base-Backbone interact. energy: -1.110 local terms energy: -357.565136 where: bonds (distance) C4'-P energy: -77.875 bonds (distance) P-C4' energy: -77.346 flat angles C4'-P-C4' energy: -76.941 flat angles P-C4'-P energy: -38.839 tors. eta vs tors. theta energy: -86.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -974.169581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.169581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.169581 (E_RNA) where: Base-Base interactions energy: -623.692 where: short stacking energy: -285.626 Base-Backbone interact. energy: -2.016 local terms energy: -348.461609 where: bonds (distance) C4'-P energy: -74.002 bonds (distance) P-C4' energy: -77.849 flat angles C4'-P-C4' energy: -74.819 flat angles P-C4'-P energy: -41.936 tors. eta vs tors. theta energy: -79.856 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: 3 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -806.390999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.390999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.390999 (E_RNA) where: Base-Base interactions energy: -505.864 where: short stacking energy: -243.565 Base-Backbone interact. energy: 1.477 local terms energy: -302.003543 where: bonds (distance) C4'-P energy: -67.349 bonds (distance) P-C4' energy: -69.053 flat angles C4'-P-C4' energy: -74.114 flat angles P-C4'-P energy: -39.003 tors. eta vs tors. theta energy: -52.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -686.544534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.544534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.544534 (E_RNA) where: Base-Base interactions energy: -399.480 where: short stacking energy: -182.400 Base-Backbone interact. energy: -0.582 local terms energy: -286.483421 where: bonds (distance) C4'-P energy: -69.498 bonds (distance) P-C4' energy: -66.533 flat angles C4'-P-C4' energy: -65.329 flat angles P-C4'-P energy: -52.690 tors. eta vs tors. theta energy: -32.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -520.118670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.118670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.118670 (E_RNA) where: Base-Base interactions energy: -291.208 where: short stacking energy: -142.006 Base-Backbone interact. energy: -2.003 local terms energy: -226.906794 where: bonds (distance) C4'-P energy: -61.038 bonds (distance) P-C4' energy: -69.075 flat angles C4'-P-C4' energy: -60.103 flat angles P-C4'-P energy: -31.022 tors. eta vs tors. theta energy: -5.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -295.863274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.863274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.863274 (E_RNA) where: Base-Base interactions energy: -101.179 where: short stacking energy: -62.884 Base-Backbone interact. energy: -2.172 local terms energy: -192.512969 where: bonds (distance) C4'-P energy: -66.855 bonds (distance) P-C4' energy: -69.894 flat angles C4'-P-C4' energy: -43.524 flat angles P-C4'-P energy: -36.280 tors. eta vs tors. theta energy: 24.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1372.187517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.187517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.187517 (E_RNA) where: Base-Base interactions energy: -941.242 where: short stacking energy: -421.014 Base-Backbone interact. energy: -0.541 local terms energy: -430.404509 where: bonds (distance) C4'-P energy: -66.657 bonds (distance) P-C4' energy: -81.229 flat angles C4'-P-C4' energy: -93.468 flat angles P-C4'-P energy: -58.665 tors. eta vs tors. theta energy: -130.385 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: 2, replica: 2 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1326.837314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.837314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.837314 (E_RNA) where: Base-Base interactions energy: -904.758 where: short stacking energy: -420.445 Base-Backbone interact. energy: -3.540 local terms energy: -418.539352 where: bonds (distance) C4'-P energy: -80.078 bonds (distance) P-C4' energy: -71.961 flat angles C4'-P-C4' energy: -87.357 flat angles P-C4'-P energy: -53.244 tors. eta vs tors. theta energy: -125.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1240.078263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.078263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.078263 (E_RNA) where: Base-Base interactions energy: -840.548 where: short stacking energy: -376.348 Base-Backbone interact. energy: -0.939 local terms energy: -398.591161 where: bonds (distance) C4'-P energy: -76.050 bonds (distance) P-C4' energy: -70.624 flat angles C4'-P-C4' energy: -92.826 flat angles P-C4'-P energy: -46.509 tors. eta vs tors. theta energy: -112.583 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: 9 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1215.991356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.991356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.991356 (E_RNA) where: Base-Base interactions energy: -839.238 where: short stacking energy: -362.425 Base-Backbone interact. energy: -2.247 local terms energy: -374.506215 where: bonds (distance) C4'-P energy: -71.101 bonds (distance) P-C4' energy: -69.191 flat angles C4'-P-C4' energy: -81.848 flat angles P-C4'-P energy: -47.893 tors. eta vs tors. theta energy: -104.474 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: 72 Temperature: 1.100000 Total energy: -1019.556706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.556706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.556706 (E_RNA) where: Base-Base interactions energy: -658.468 where: short stacking energy: -302.068 Base-Backbone interact. energy: 0.883 local terms energy: -361.971399 where: bonds (distance) C4'-P energy: -81.243 bonds (distance) P-C4' energy: -78.151 flat angles C4'-P-C4' energy: -84.527 flat angles P-C4'-P energy: -42.937 tors. eta vs tors. theta energy: -75.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -946.717869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.717869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.717869 (E_RNA) where: Base-Base interactions energy: -617.912 where: short stacking energy: -276.849 Base-Backbone interact. energy: -1.508 local terms energy: -327.298001 where: bonds (distance) C4'-P energy: -85.716 bonds (distance) P-C4' energy: -48.375 flat angles C4'-P-C4' energy: -73.860 flat angles P-C4'-P energy: -43.948 tors. eta vs tors. theta energy: -75.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -741.253731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.253731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.253731 (E_RNA) where: Base-Base interactions energy: -480.248 where: short stacking energy: -223.741 Base-Backbone interact. energy: 2.302 local terms energy: -263.307881 where: bonds (distance) C4'-P energy: -59.726 bonds (distance) P-C4' energy: -54.578 flat angles C4'-P-C4' energy: -70.704 flat angles P-C4'-P energy: -38.304 tors. eta vs tors. theta energy: -39.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -699.302524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.302524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.302524 (E_RNA) where: Base-Base interactions energy: -420.411 where: short stacking energy: -226.240 Base-Backbone interact. energy: -0.790 local terms energy: -278.100963 where: bonds (distance) C4'-P energy: -50.242 bonds (distance) P-C4' energy: -76.640 flat angles C4'-P-C4' energy: -71.944 flat angles P-C4'-P energy: -41.628 tors. eta vs tors. theta energy: -37.646 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: 6 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -506.225222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.225222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.225222 (E_RNA) where: Base-Base interactions energy: -274.576 where: short stacking energy: -137.563 Base-Backbone interact. energy: 1.230 local terms energy: -232.879812 where: bonds (distance) C4'-P energy: -56.636 bonds (distance) P-C4' energy: -65.309 flat angles C4'-P-C4' energy: -71.126 flat angles P-C4'-P energy: -38.113 tors. eta vs tors. theta energy: -1.695 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: 5 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -332.361796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.361796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.361796 (E_RNA) where: Base-Base interactions energy: -106.431 where: short stacking energy: -84.108 Base-Backbone interact. energy: -2.131 local terms energy: -223.800564 where: bonds (distance) C4'-P energy: -63.277 bonds (distance) P-C4' energy: -68.712 flat angles C4'-P-C4' energy: -53.714 flat angles P-C4'-P energy: -43.332 tors. eta vs tors. theta energy: 5.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1367.008182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.008182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.008182 (E_RNA) where: Base-Base interactions energy: -915.593 where: short stacking energy: -423.185 Base-Backbone interact. energy: -0.479 local terms energy: -450.936149 where: bonds (distance) C4'-P energy: -82.172 bonds (distance) P-C4' energy: -85.327 flat angles C4'-P-C4' energy: -85.672 flat angles P-C4'-P energy: -61.980 tors. eta vs tors. theta energy: -135.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1333.970870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.970870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.970870 (E_RNA) where: Base-Base interactions energy: -901.380 where: short stacking energy: -427.273 Base-Backbone interact. energy: -4.575 local terms energy: -428.015658 where: bonds (distance) C4'-P energy: -71.999 bonds (distance) P-C4' energy: -82.573 flat angles C4'-P-C4' energy: -88.327 flat angles P-C4'-P energy: -70.912 tors. eta vs tors. theta energy: -114.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1245.130074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.130074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.130074 (E_RNA) where: Base-Base interactions energy: -854.951 where: short stacking energy: -377.793 Base-Backbone interact. energy: 0.199 local terms energy: -390.377861 where: bonds (distance) C4'-P energy: -76.276 bonds (distance) P-C4' energy: -62.583 flat angles C4'-P-C4' energy: -77.053 flat angles P-C4'-P energy: -57.013 tors. eta vs tors. theta energy: -117.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1172.161669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.161669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.161669 (E_RNA) where: Base-Base interactions energy: -774.566 where: short stacking energy: -350.235 Base-Backbone interact. energy: -1.091 local terms energy: -396.504620 where: bonds (distance) C4'-P energy: -66.471 bonds (distance) P-C4' energy: -75.776 flat angles C4'-P-C4' energy: -89.014 flat angles P-C4'-P energy: -60.338 tors. eta vs tors. theta energy: -104.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1024.310872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.310872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.310872 (E_RNA) where: Base-Base interactions energy: -674.076 where: short stacking energy: -286.610 Base-Backbone interact. energy: 0.427 local terms energy: -350.662230 where: bonds (distance) C4'-P energy: -74.048 bonds (distance) P-C4' energy: -81.559 flat angles C4'-P-C4' energy: -67.658 flat angles P-C4'-P energy: -50.505 tors. eta vs tors. theta energy: -76.892 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: 8 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -967.869768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.869768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.869768 (E_RNA) where: Base-Base interactions energy: -642.265 where: short stacking energy: -304.042 Base-Backbone interact. energy: -0.364 local terms energy: -325.241237 where: bonds (distance) C4'-P energy: -68.894 bonds (distance) P-C4' energy: -68.371 flat angles C4'-P-C4' energy: -73.826 flat angles P-C4'-P energy: -31.225 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: 7, replica: 3 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -819.827252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.827252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.827252 (E_RNA) where: Base-Base interactions energy: -513.255 where: short stacking energy: -243.768 Base-Backbone interact. energy: -2.722 local terms energy: -303.849753 where: bonds (distance) C4'-P energy: -67.364 bonds (distance) P-C4' energy: -76.863 flat angles C4'-P-C4' energy: -72.802 flat angles P-C4'-P energy: -48.563 tors. eta vs tors. theta energy: -38.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -714.229674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.229674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.229674 (E_RNA) where: Base-Base interactions energy: -440.408 where: short stacking energy: -198.979 Base-Backbone interact. energy: 0.170 local terms energy: -273.991911 where: bonds (distance) C4'-P energy: -60.385 bonds (distance) P-C4' energy: -66.014 flat angles C4'-P-C4' energy: -64.986 flat angles P-C4'-P energy: -35.914 tors. eta vs tors. theta energy: -46.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -503.346204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.346204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.346204 (E_RNA) where: Base-Base interactions energy: -260.888 where: short stacking energy: -151.143 Base-Backbone interact. energy: -0.509 local terms energy: -241.948910 where: bonds (distance) C4'-P energy: -55.521 bonds (distance) P-C4' energy: -72.948 flat angles C4'-P-C4' energy: -52.875 flat angles P-C4'-P energy: -41.933 tors. eta vs tors. theta energy: -18.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -389.180367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.180367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.180367 (E_RNA) where: Base-Base interactions energy: -156.146 where: short stacking energy: -83.182 Base-Backbone interact. energy: 2.680 local terms energy: -235.714778 where: bonds (distance) C4'-P energy: -57.599 bonds (distance) P-C4' energy: -68.339 flat angles C4'-P-C4' energy: -64.466 flat angles P-C4'-P energy: -40.523 tors. eta vs tors. theta energy: -4.788 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: 7 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1359.770553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.770553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.770553 (E_RNA) where: Base-Base interactions energy: -925.476 where: short stacking energy: -420.798 Base-Backbone interact. energy: -1.821 local terms energy: -432.472843 where: bonds (distance) C4'-P energy: -83.653 bonds (distance) P-C4' energy: -68.338 flat angles C4'-P-C4' energy: -92.399 flat angles P-C4'-P energy: -53.446 tors. eta vs tors. theta energy: -134.636 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: 2 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1332.741558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.741558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.741558 (E_RNA) where: Base-Base interactions energy: -917.527 where: short stacking energy: -411.145 Base-Backbone interact. energy: 1.633 local terms energy: -416.847561 where: bonds (distance) C4'-P energy: -71.347 bonds (distance) P-C4' energy: -78.428 flat angles C4'-P-C4' energy: -90.486 flat angles P-C4'-P energy: -56.881 tors. eta vs tors. theta energy: -119.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1252.319468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.319468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.319468 (E_RNA) where: Base-Base interactions energy: -844.393 where: short stacking energy: -361.335 Base-Backbone interact. energy: -2.724 local terms energy: -405.202171 where: bonds (distance) C4'-P energy: -72.229 bonds (distance) P-C4' energy: -75.642 flat angles C4'-P-C4' energy: -85.092 flat angles P-C4'-P energy: -55.248 tors. eta vs tors. theta energy: -116.991 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: 9 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1202.230960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.230960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.230960 (E_RNA) where: Base-Base interactions energy: -820.972 where: short stacking energy: -344.917 Base-Backbone interact. energy: -1.480 local terms energy: -379.778872 where: bonds (distance) C4'-P energy: -69.580 bonds (distance) P-C4' energy: -72.589 flat angles C4'-P-C4' energy: -84.679 flat angles P-C4'-P energy: -54.148 tors. eta vs tors. theta energy: -98.783 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: 8 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1013.739243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.739243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.739243 (E_RNA) where: Base-Base interactions energy: -657.836 where: short stacking energy: -284.237 Base-Backbone interact. energy: 0.510 local terms energy: -356.412336 where: bonds (distance) C4'-P energy: -71.621 bonds (distance) P-C4' energy: -79.121 flat angles C4'-P-C4' energy: -76.500 flat angles P-C4'-P energy: -42.067 tors. eta vs tors. theta energy: -87.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1021.087518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.087518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.087518 (E_RNA) where: Base-Base interactions energy: -665.305 where: short stacking energy: -309.234 Base-Backbone interact. energy: -2.142 local terms energy: -353.640605 where: bonds (distance) C4'-P energy: -71.075 bonds (distance) P-C4' energy: -84.110 flat angles C4'-P-C4' energy: -70.124 flat angles P-C4'-P energy: -56.035 tors. eta vs tors. theta energy: -72.297 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: 3 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -784.900396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.900396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.900396 (E_RNA) where: Base-Base interactions energy: -500.976 where: short stacking energy: -248.966 Base-Backbone interact. energy: 1.326 local terms energy: -285.250426 where: bonds (distance) C4'-P energy: -62.404 bonds (distance) P-C4' energy: -61.062 flat angles C4'-P-C4' energy: -63.155 flat angles P-C4'-P energy: -48.231 tors. eta vs tors. theta energy: -50.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -687.583581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.583581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.583581 (E_RNA) where: Base-Base interactions energy: -430.050 where: short stacking energy: -213.174 Base-Backbone interact. energy: 1.973 local terms energy: -259.507443 where: bonds (distance) C4'-P energy: -68.366 bonds (distance) P-C4' energy: -75.763 flat angles C4'-P-C4' energy: -69.491 flat angles P-C4'-P energy: -25.571 tors. eta vs tors. theta energy: -20.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -524.224156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.224156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.224156 (E_RNA) where: Base-Base interactions energy: -289.204 where: short stacking energy: -145.794 Base-Backbone interact. energy: -2.739 local terms energy: -232.281428 where: bonds (distance) C4'-P energy: -54.650 bonds (distance) P-C4' energy: -79.973 flat angles C4'-P-C4' energy: -47.326 flat angles P-C4'-P energy: -47.050 tors. eta vs tors. theta energy: -3.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -338.370817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.370817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.370817 (E_RNA) where: Base-Base interactions energy: -122.144 where: short stacking energy: -107.019 Base-Backbone interact. energy: -2.461 local terms energy: -213.765854 where: bonds (distance) C4'-P energy: -65.909 bonds (distance) P-C4' energy: -62.740 flat angles C4'-P-C4' energy: -65.317 flat angles P-C4'-P energy: -34.264 tors. eta vs tors. theta energy: 14.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1373.082924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.082924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.082924 (E_RNA) where: Base-Base interactions energy: -932.530 where: short stacking energy: -439.157 Base-Backbone interact. energy: -1.028 local terms energy: -439.524734 where: bonds (distance) C4'-P energy: -75.089 bonds (distance) P-C4' energy: -83.348 flat angles C4'-P-C4' energy: -88.875 flat angles P-C4'-P energy: -58.187 tors. eta vs tors. theta energy: -134.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1331.747434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.747434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.747434 (E_RNA) where: Base-Base interactions energy: -890.961 where: short stacking energy: -398.302 Base-Backbone interact. energy: -1.467 local terms energy: -439.318743 where: bonds (distance) C4'-P energy: -73.350 bonds (distance) P-C4' energy: -81.322 flat angles C4'-P-C4' energy: -96.865 flat angles P-C4'-P energy: -62.397 tors. eta vs tors. theta energy: -125.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1219.827636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.827636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.827636 (E_RNA) where: Base-Base interactions energy: -832.173 where: short stacking energy: -382.187 Base-Backbone interact. energy: 0.190 local terms energy: -387.844616 where: bonds (distance) C4'-P energy: -69.879 bonds (distance) P-C4' energy: -69.935 flat angles C4'-P-C4' energy: -84.731 flat angles P-C4'-P energy: -49.941 tors. eta vs tors. theta energy: -113.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1178.896683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.896683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.896683 (E_RNA) where: Base-Base interactions energy: -792.643 where: short stacking energy: -331.502 Base-Backbone interact. energy: -1.402 local terms energy: -384.851701 where: bonds (distance) C4'-P energy: -70.817 bonds (distance) P-C4' energy: -81.430 flat angles C4'-P-C4' energy: -89.139 flat angles P-C4'-P energy: -48.194 tors. eta vs tors. theta energy: -95.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -952.515442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.515442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.515442 (E_RNA) where: Base-Base interactions energy: -617.598 where: short stacking energy: -269.580 Base-Backbone interact. energy: -1.727 local terms energy: -333.190742 where: bonds (distance) C4'-P energy: -67.104 bonds (distance) P-C4' energy: -82.822 flat angles C4'-P-C4' energy: -74.117 flat angles P-C4'-P energy: -46.054 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: 6, replica: 4 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1084.287584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.287584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.287584 (E_RNA) where: Base-Base interactions energy: -728.856 where: short stacking energy: -330.887 Base-Backbone interact. energy: -1.131 local terms energy: -354.301071 where: bonds (distance) C4'-P energy: -57.590 bonds (distance) P-C4' energy: -53.689 flat angles C4'-P-C4' energy: -83.927 flat angles P-C4'-P energy: -57.862 tors. eta vs tors. theta energy: -101.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -741.969621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.969621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.969621 (E_RNA) where: Base-Base interactions energy: -444.090 where: short stacking energy: -227.902 Base-Backbone interact. energy: 0.670 local terms energy: -298.549446 where: bonds (distance) C4'-P energy: -64.817 bonds (distance) P-C4' energy: -78.554 flat angles C4'-P-C4' energy: -68.624 flat angles P-C4'-P energy: -42.970 tors. eta vs tors. theta energy: -43.584 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: 75 Temperature: 1.250000 Total energy: -669.564592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.564592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.564592 (E_RNA) where: Base-Base interactions energy: -408.579 where: short stacking energy: -193.308 Base-Backbone interact. energy: 0.539 local terms energy: -261.524916 where: bonds (distance) C4'-P energy: -52.594 bonds (distance) P-C4' energy: -73.461 flat angles C4'-P-C4' energy: -61.734 flat angles P-C4'-P energy: -46.604 tors. eta vs tors. theta energy: -27.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -517.666322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.666322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.666322 (E_RNA) where: Base-Base interactions energy: -282.893 where: short stacking energy: -154.708 Base-Backbone interact. energy: 1.263 local terms energy: -236.036216 where: bonds (distance) C4'-P energy: -67.514 bonds (distance) P-C4' energy: -66.981 flat angles C4'-P-C4' energy: -69.092 flat angles P-C4'-P energy: -23.475 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: 10, replica: 5 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -358.508782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.508782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.508782 (E_RNA) where: Base-Base interactions energy: -133.176 where: short stacking energy: -98.018 Base-Backbone interact. energy: 2.973 local terms energy: -228.305498 where: bonds (distance) C4'-P energy: -69.513 bonds (distance) P-C4' energy: -72.268 flat angles C4'-P-C4' energy: -47.766 flat angles P-C4'-P energy: -41.071 tors. eta vs tors. theta energy: 2.313 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: 7 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1379.458994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.458994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.458994 (E_RNA) where: Base-Base interactions energy: -937.087 where: short stacking energy: -419.242 Base-Backbone interact. energy: -0.727 local terms energy: -441.644490 where: bonds (distance) C4'-P energy: -78.818 bonds (distance) P-C4' energy: -86.294 flat angles C4'-P-C4' energy: -87.150 flat angles P-C4'-P energy: -62.158 tors. eta vs tors. theta energy: -127.225 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: 2 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1301.385998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.385998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.385998 (E_RNA) where: Base-Base interactions energy: -882.260 where: short stacking energy: -387.835 Base-Backbone interact. energy: -2.831 local terms energy: -416.294308 where: bonds (distance) C4'-P energy: -74.249 bonds (distance) P-C4' energy: -80.981 flat angles C4'-P-C4' energy: -88.957 flat angles P-C4'-P energy: -55.402 tors. eta vs tors. theta energy: -116.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1234.011499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.011499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.011499 (E_RNA) where: Base-Base interactions energy: -826.152 where: short stacking energy: -368.418 Base-Backbone interact. energy: -1.888 local terms energy: -405.971069 where: bonds (distance) C4'-P energy: -79.504 bonds (distance) P-C4' energy: -78.295 flat angles C4'-P-C4' energy: -81.406 flat angles P-C4'-P energy: -52.483 tors. eta vs tors. theta energy: -114.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1181.939533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.939533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.939533 (E_RNA) where: Base-Base interactions energy: -795.388 where: short stacking energy: -368.124 Base-Backbone interact. energy: -1.069 local terms energy: -385.482128 where: bonds (distance) C4'-P energy: -71.515 bonds (distance) P-C4' energy: -70.458 flat angles C4'-P-C4' energy: -81.271 flat angles P-C4'-P energy: -57.834 tors. eta vs tors. theta energy: -104.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1123.934743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.934743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.934743 (E_RNA) where: Base-Base interactions energy: -739.587 where: short stacking energy: -330.089 Base-Backbone interact. energy: 0.217 local terms energy: -384.564256 where: bonds (distance) C4'-P energy: -61.590 bonds (distance) P-C4' energy: -84.486 flat angles C4'-P-C4' energy: -87.356 flat angles P-C4'-P energy: -57.675 tors. eta vs tors. theta energy: -93.458 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: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -932.378192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.378192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.378192 (E_RNA) where: Base-Base interactions energy: -622.064 where: short stacking energy: -283.528 Base-Backbone interact. energy: -0.400 local terms energy: -309.914947 where: bonds (distance) C4'-P energy: -65.093 bonds (distance) P-C4' energy: -68.758 flat angles C4'-P-C4' energy: -64.858 flat angles P-C4'-P energy: -43.696 tors. eta vs tors. theta energy: -67.510 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: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -735.586332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.586332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.586332 (E_RNA) where: Base-Base interactions energy: -445.196 where: short stacking energy: -222.067 Base-Backbone interact. energy: 0.161 local terms energy: -290.551451 where: bonds (distance) C4'-P energy: -50.827 bonds (distance) P-C4' energy: -68.337 flat angles C4'-P-C4' energy: -75.793 flat angles P-C4'-P energy: -45.633 tors. eta vs tors. theta energy: -49.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -705.623014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.623014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.623014 (E_RNA) where: Base-Base interactions energy: -455.522 where: short stacking energy: -201.036 Base-Backbone interact. energy: -1.758 local terms energy: -248.343096 where: bonds (distance) C4'-P energy: -70.930 bonds (distance) P-C4' energy: -61.928 flat angles C4'-P-C4' energy: -69.398 flat angles P-C4'-P energy: -22.850 tors. eta vs tors. theta energy: -23.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -514.297766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.297766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.297766 (E_RNA) where: Base-Base interactions energy: -267.488 where: short stacking energy: -149.864 Base-Backbone interact. energy: 1.248 local terms energy: -248.056902 where: bonds (distance) C4'-P energy: -70.026 bonds (distance) P-C4' energy: -69.039 flat angles C4'-P-C4' energy: -62.382 flat angles P-C4'-P energy: -30.277 tors. eta vs tors. theta energy: -16.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -316.376246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.376246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.376246 (E_RNA) where: Base-Base interactions energy: -95.231 where: short stacking energy: -81.090 Base-Backbone interact. energy: -1.745 local terms energy: -219.400065 where: bonds (distance) C4'-P energy: -74.058 bonds (distance) P-C4' energy: -79.179 flat angles C4'-P-C4' energy: -72.173 flat angles P-C4'-P energy: -15.001 tors. eta vs tors. theta energy: 21.011 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: 7 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1358.387392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.387392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.387392 (E_RNA) where: Base-Base interactions energy: -919.614 where: short stacking energy: -416.595 Base-Backbone interact. energy: -1.126 local terms energy: -437.648356 where: bonds (distance) C4'-P energy: -83.462 bonds (distance) P-C4' energy: -73.661 flat angles C4'-P-C4' energy: -88.634 flat angles P-C4'-P energy: -62.463 tors. eta vs tors. theta energy: -129.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1306.370020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.370020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.370020 (E_RNA) where: Base-Base interactions energy: -881.643 where: short stacking energy: -398.446 Base-Backbone interact. energy: -3.170 local terms energy: -421.556923 where: bonds (distance) C4'-P energy: -76.382 bonds (distance) P-C4' energy: -80.312 flat angles C4'-P-C4' energy: -88.035 flat angles P-C4'-P energy: -54.872 tors. eta vs tors. theta energy: -121.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1232.829837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.829837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.829837 (E_RNA) where: Base-Base interactions energy: -833.764 where: short stacking energy: -364.968 Base-Backbone interact. energy: -0.332 local terms energy: -398.733959 where: bonds (distance) C4'-P energy: -79.234 bonds (distance) P-C4' energy: -75.124 flat angles C4'-P-C4' energy: -83.214 flat angles P-C4'-P energy: -50.329 tors. eta vs tors. theta energy: -110.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1186.788857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.788857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.788857 (E_RNA) where: Base-Base interactions energy: -812.681 where: short stacking energy: -347.419 Base-Backbone interact. energy: -0.830 local terms energy: -373.278487 where: bonds (distance) C4'-P energy: -72.852 bonds (distance) P-C4' energy: -77.611 flat angles C4'-P-C4' energy: -86.570 flat angles P-C4'-P energy: -49.809 tors. eta vs tors. theta energy: -86.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1126.527534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.527534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.527534 (E_RNA) where: Base-Base interactions energy: -773.720 where: short stacking energy: -330.539 Base-Backbone interact. energy: -1.660 local terms energy: -351.147865 where: bonds (distance) C4'-P energy: -72.860 bonds (distance) P-C4' energy: -53.487 flat angles C4'-P-C4' energy: -76.052 flat angles P-C4'-P energy: -51.923 tors. eta vs tors. theta energy: -96.826 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: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -952.490792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.490792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.490792 (E_RNA) where: Base-Base interactions energy: -623.444 where: short stacking energy: -288.431 Base-Backbone interact. energy: -0.430 local terms energy: -328.616497 where: bonds (distance) C4'-P energy: -61.223 bonds (distance) P-C4' energy: -66.745 flat angles C4'-P-C4' energy: -72.178 flat angles P-C4'-P energy: -57.991 tors. eta vs tors. theta energy: -70.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -821.809229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.809229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.809229 (E_RNA) where: Base-Base interactions energy: -512.190 where: short stacking energy: -244.724 Base-Backbone interact. energy: 3.410 local terms energy: -313.029117 where: bonds (distance) C4'-P energy: -71.051 bonds (distance) P-C4' energy: -71.350 flat angles C4'-P-C4' energy: -74.586 flat angles P-C4'-P energy: -48.070 tors. eta vs tors. theta energy: -47.972 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: 10 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -694.366402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.366402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.366402 (E_RNA) where: Base-Base interactions energy: -437.388 where: short stacking energy: -190.209 Base-Backbone interact. energy: -1.229 local terms energy: -255.749736 where: bonds (distance) C4'-P energy: -57.176 bonds (distance) P-C4' energy: -79.385 flat angles C4'-P-C4' energy: -61.867 flat angles P-C4'-P energy: -33.744 tors. eta vs tors. theta energy: -23.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -538.884885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.884885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.884885 (E_RNA) where: Base-Base interactions energy: -289.396 where: short stacking energy: -132.070 Base-Backbone interact. energy: 2.398 local terms energy: -251.887481 where: bonds (distance) C4'-P energy: -77.001 bonds (distance) P-C4' energy: -67.900 flat angles C4'-P-C4' energy: -48.937 flat angles P-C4'-P energy: -41.883 tors. eta vs tors. theta energy: -16.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -307.840852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.840852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.840852 (E_RNA) where: Base-Base interactions energy: -82.833 where: short stacking energy: -79.749 Base-Backbone interact. energy: -0.957 local terms energy: -224.051147 where: bonds (distance) C4'-P energy: -72.673 bonds (distance) P-C4' energy: -73.061 flat angles C4'-P-C4' energy: -52.229 flat angles P-C4'-P energy: -34.209 tors. eta vs tors. theta energy: 8.120 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: 7 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1375.292037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.292037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.292037 (E_RNA) where: Base-Base interactions energy: -935.298 where: short stacking energy: -427.534 Base-Backbone interact. energy: -1.355 local terms energy: -438.638723 where: bonds (distance) C4'-P energy: -82.987 bonds (distance) P-C4' energy: -82.656 flat angles C4'-P-C4' energy: -84.408 flat angles P-C4'-P energy: -57.877 tors. eta vs tors. theta energy: -130.710 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: 2 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1323.918422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.918422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.918422 (E_RNA) where: Base-Base interactions energy: -900.913 where: short stacking energy: -397.431 Base-Backbone interact. energy: -0.696 local terms energy: -422.309048 where: bonds (distance) C4'-P energy: -77.714 bonds (distance) P-C4' energy: -77.580 flat angles C4'-P-C4' energy: -82.581 flat angles P-C4'-P energy: -62.563 tors. eta vs tors. theta energy: -121.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1218.714190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.714190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.714190 (E_RNA) where: Base-Base interactions energy: -823.929 where: short stacking energy: -383.628 Base-Backbone interact. energy: 3.743 local terms energy: -398.527681 where: bonds (distance) C4'-P energy: -74.874 bonds (distance) P-C4' energy: -73.811 flat angles C4'-P-C4' energy: -92.046 flat angles P-C4'-P energy: -46.730 tors. eta vs tors. theta energy: -111.067 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: 4, replica: 9 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1183.317860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.317860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.317860 (E_RNA) where: Base-Base interactions energy: -816.621 where: short stacking energy: -351.161 Base-Backbone interact. energy: 1.888 local terms energy: -368.584462 where: bonds (distance) C4'-P energy: -72.147 bonds (distance) P-C4' energy: -80.332 flat angles C4'-P-C4' energy: -80.876 flat angles P-C4'-P energy: -42.232 tors. eta vs tors. theta energy: -92.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1121.328335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.328335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.328335 (E_RNA) where: Base-Base interactions energy: -746.893 where: short stacking energy: -334.619 Base-Backbone interact. energy: -1.227 local terms energy: -373.208187 where: bonds (distance) C4'-P energy: -68.079 bonds (distance) P-C4' energy: -86.809 flat angles C4'-P-C4' energy: -68.591 flat angles P-C4'-P energy: -60.611 tors. eta vs tors. theta energy: -89.118 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: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -994.915097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.915097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.915097 (E_RNA) where: Base-Base interactions energy: -666.543 where: short stacking energy: -308.807 Base-Backbone interact. energy: -2.573 local terms energy: -325.799044 where: bonds (distance) C4'-P energy: -60.634 bonds (distance) P-C4' energy: -63.536 flat angles C4'-P-C4' energy: -74.416 flat angles P-C4'-P energy: -39.387 tors. eta vs tors. theta energy: -87.826 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: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -802.297758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.297758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.297758 (E_RNA) where: Base-Base interactions energy: -504.212 where: short stacking energy: -240.405 Base-Backbone interact. energy: -0.767 local terms energy: -297.319344 where: bonds (distance) C4'-P energy: -62.459 bonds (distance) P-C4' energy: -69.613 flat angles C4'-P-C4' energy: -76.480 flat angles P-C4'-P energy: -37.557 tors. eta vs tors. theta energy: -51.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -671.097301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.097301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.097301 (E_RNA) where: Base-Base interactions energy: -387.583 where: short stacking energy: -180.384 Base-Backbone interact. energy: -0.173 local terms energy: -283.340490 where: bonds (distance) C4'-P energy: -68.757 bonds (distance) P-C4' energy: -73.439 flat angles C4'-P-C4' energy: -64.996 flat angles P-C4'-P energy: -50.674 tors. eta vs tors. theta energy: -25.475 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: 9, replica: 6 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -551.609020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.609020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.609020 (E_RNA) where: Base-Base interactions energy: -339.571 where: short stacking energy: -161.795 Base-Backbone interact. energy: -2.922 local terms energy: -209.115334 where: bonds (distance) C4'-P energy: -55.444 bonds (distance) P-C4' energy: -63.809 flat angles C4'-P-C4' energy: -59.459 flat angles P-C4'-P energy: -14.779 tors. eta vs tors. theta energy: -15.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -344.817596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.817596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.817596 (E_RNA) where: Base-Base interactions energy: -143.174 where: short stacking energy: -102.313 Base-Backbone interact. energy: -2.471 local terms energy: -199.172305 where: bonds (distance) C4'-P energy: -53.697 bonds (distance) P-C4' energy: -57.192 flat angles C4'-P-C4' energy: -53.826 flat angles P-C4'-P energy: -36.498 tors. eta vs tors. theta energy: 2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1330.180478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.180478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.180478 (E_RNA) where: Base-Base interactions energy: -908.283 where: short stacking energy: -398.234 Base-Backbone interact. energy: -2.389 local terms energy: -419.508580 where: bonds (distance) C4'-P energy: -74.568 bonds (distance) P-C4' energy: -78.841 flat angles C4'-P-C4' energy: -87.006 flat angles P-C4'-P energy: -59.361 tors. eta vs tors. theta energy: -119.732 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: 2 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1319.483601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.483601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.483601 (E_RNA) where: Base-Base interactions energy: -919.776 where: short stacking energy: -402.180 Base-Backbone interact. energy: -0.848 local terms energy: -398.859582 where: bonds (distance) C4'-P energy: -77.588 bonds (distance) P-C4' energy: -69.311 flat angles C4'-P-C4' energy: -79.589 flat angles P-C4'-P energy: -53.590 tors. eta vs tors. theta energy: -118.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1213.771388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.771388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.771388 (E_RNA) where: Base-Base interactions energy: -819.200 where: short stacking energy: -360.371 Base-Backbone interact. energy: 1.897 local terms energy: -396.467741 where: bonds (distance) C4'-P energy: -74.048 bonds (distance) P-C4' energy: -75.533 flat angles C4'-P-C4' energy: -85.676 flat angles P-C4'-P energy: -61.074 tors. eta vs tors. theta energy: -100.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1155.786851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.786851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.786851 (E_RNA) where: Base-Base interactions energy: -763.389 where: short stacking energy: -342.301 Base-Backbone interact. energy: -1.462 local terms energy: -390.936569 where: bonds (distance) C4'-P energy: -71.639 bonds (distance) P-C4' energy: -83.977 flat angles C4'-P-C4' energy: -83.505 flat angles P-C4'-P energy: -56.719 tors. eta vs tors. theta energy: -95.097 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: 9 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1123.943849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.943849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.943849 (E_RNA) where: Base-Base interactions energy: -774.659 where: short stacking energy: -345.643 Base-Backbone interact. energy: 3.541 local terms energy: -352.826340 where: bonds (distance) C4'-P energy: -64.708 bonds (distance) P-C4' energy: -79.435 flat angles C4'-P-C4' energy: -77.110 flat angles P-C4'-P energy: -45.917 tors. eta vs tors. theta energy: -85.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -982.893460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.893460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.893460 (E_RNA) where: Base-Base interactions energy: -645.581 where: short stacking energy: -290.525 Base-Backbone interact. energy: -1.173 local terms energy: -336.139216 where: bonds (distance) C4'-P energy: -72.741 bonds (distance) P-C4' energy: -64.512 flat angles C4'-P-C4' energy: -74.339 flat angles P-C4'-P energy: -50.420 tors. eta vs tors. theta energy: -74.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -927.033518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.033518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.033518 (E_RNA) where: Base-Base interactions energy: -594.238 where: short stacking energy: -275.224 Base-Backbone interact. energy: 0.348 local terms energy: -333.143715 where: bonds (distance) C4'-P energy: -79.468 bonds (distance) P-C4' energy: -71.880 flat angles C4'-P-C4' energy: -80.844 flat angles P-C4'-P energy: -38.455 tors. eta vs tors. theta energy: -62.498 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: 10 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -657.375366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.375366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.375366 (E_RNA) where: Base-Base interactions energy: -386.078 where: short stacking energy: -184.148 Base-Backbone interact. energy: -3.424 local terms energy: -267.873013 where: bonds (distance) C4'-P energy: -54.490 bonds (distance) P-C4' energy: -66.374 flat angles C4'-P-C4' energy: -73.144 flat angles P-C4'-P energy: -47.742 tors. eta vs tors. theta energy: -26.123 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: 6 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -511.055805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.055805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.055805 (E_RNA) where: Base-Base interactions energy: -299.966 where: short stacking energy: -163.194 Base-Backbone interact. energy: -0.526 local terms energy: -210.564144 where: bonds (distance) C4'-P energy: -50.231 bonds (distance) P-C4' energy: -61.604 flat angles C4'-P-C4' energy: -53.474 flat angles P-C4'-P energy: -37.200 tors. eta vs tors. theta energy: -8.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -373.237355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.237355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.237355 (E_RNA) where: Base-Base interactions energy: -176.837 where: short stacking energy: -122.576 Base-Backbone interact. energy: -1.407 local terms energy: -194.993207 where: bonds (distance) C4'-P energy: -49.390 bonds (distance) P-C4' energy: -72.312 flat angles C4'-P-C4' energy: -48.415 flat angles P-C4'-P energy: -27.944 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: 2 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1353.892844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.892844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.892844 (E_RNA) where: Base-Base interactions energy: -928.239 where: short stacking energy: -418.293 Base-Backbone interact. energy: -0.336 local terms energy: -425.317741 where: bonds (distance) C4'-P energy: -77.015 bonds (distance) P-C4' energy: -72.147 flat angles C4'-P-C4' energy: -96.987 flat angles P-C4'-P energy: -62.232 tors. eta vs tors. theta energy: -116.936 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: 7 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1335.048733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.048733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.048733 (E_RNA) where: Base-Base interactions energy: -909.092 where: short stacking energy: -397.567 Base-Backbone interact. energy: -2.372 local terms energy: -423.585251 where: bonds (distance) C4'-P energy: -74.848 bonds (distance) P-C4' energy: -79.209 flat angles C4'-P-C4' energy: -94.220 flat angles P-C4'-P energy: -54.636 tors. eta vs tors. theta energy: -120.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1238.969877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.969877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.969877 (E_RNA) where: Base-Base interactions energy: -835.729 where: short stacking energy: -366.230 Base-Backbone interact. energy: -2.552 local terms energy: -400.689127 where: bonds (distance) C4'-P energy: -80.381 bonds (distance) P-C4' energy: -74.130 flat angles C4'-P-C4' energy: -79.988 flat angles P-C4'-P energy: -57.657 tors. eta vs tors. theta energy: -108.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1170.006175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.006175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.006175 (E_RNA) where: Base-Base interactions energy: -775.429 where: short stacking energy: -377.742 Base-Backbone interact. energy: 1.702 local terms energy: -396.278405 where: bonds (distance) C4'-P energy: -70.927 bonds (distance) P-C4' energy: -85.181 flat angles C4'-P-C4' energy: -80.881 flat angles P-C4'-P energy: -52.410 tors. eta vs tors. theta energy: -106.879 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: 5, replica: 9 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1110.261322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.261322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.261322 (E_RNA) where: Base-Base interactions energy: -761.277 where: short stacking energy: -330.956 Base-Backbone interact. energy: -0.186 local terms energy: -348.798855 where: bonds (distance) C4'-P energy: -63.641 bonds (distance) P-C4' energy: -82.753 flat angles C4'-P-C4' energy: -71.058 flat angles P-C4'-P energy: -55.137 tors. eta vs tors. theta energy: -76.209 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: 6, replica: 8 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -891.995471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.995471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.995471 (E_RNA) where: Base-Base interactions energy: -568.771 where: short stacking energy: -280.588 Base-Backbone interact. energy: -0.824 local terms energy: -322.400331 where: bonds (distance) C4'-P energy: -58.784 bonds (distance) P-C4' energy: -75.364 flat angles C4'-P-C4' energy: -76.200 flat angles P-C4'-P energy: -37.496 tors. eta vs tors. theta energy: -74.557 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: 3 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -896.456772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.456772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.456772 (E_RNA) where: Base-Base interactions energy: -575.472 where: short stacking energy: -270.976 Base-Backbone interact. energy: 3.430 local terms energy: -324.414919 where: bonds (distance) C4'-P energy: -68.060 bonds (distance) P-C4' energy: -74.203 flat angles C4'-P-C4' energy: -76.478 flat angles P-C4'-P energy: -45.716 tors. eta vs tors. theta energy: -59.958 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: 10 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -732.584153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.584153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.584153 (E_RNA) where: Base-Base interactions energy: -432.307 where: short stacking energy: -210.924 Base-Backbone interact. energy: 2.112 local terms energy: -302.389164 where: bonds (distance) C4'-P energy: -73.463 bonds (distance) P-C4' energy: -75.534 flat angles C4'-P-C4' energy: -65.730 flat angles P-C4'-P energy: -41.042 tors. eta vs tors. theta energy: -46.620 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: 5 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -403.010113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.010113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.010113 (E_RNA) where: Base-Base interactions energy: -173.300 where: short stacking energy: -126.259 Base-Backbone interact. energy: 0.026 local terms energy: -229.735839 where: bonds (distance) C4'-P energy: -57.809 bonds (distance) P-C4' energy: -68.034 flat angles C4'-P-C4' energy: -60.375 flat angles P-C4'-P energy: -35.012 tors. eta vs tors. theta energy: -8.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -418.607427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.607427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.607427 (E_RNA) where: Base-Base interactions energy: -199.855 where: short stacking energy: -145.843 Base-Backbone interact. energy: -0.034 local terms energy: -218.718508 where: bonds (distance) C4'-P energy: -55.735 bonds (distance) P-C4' energy: -56.328 flat angles C4'-P-C4' energy: -54.865 flat angles P-C4'-P energy: -32.856 tors. eta vs tors. theta energy: -18.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1358.627285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.627285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.627285 (E_RNA) where: Base-Base interactions energy: -907.576 where: short stacking energy: -417.380 Base-Backbone interact. energy: -2.434 local terms energy: -448.617013 where: bonds (distance) C4'-P energy: -77.604 bonds (distance) P-C4' energy: -83.787 flat angles C4'-P-C4' energy: -97.916 flat angles P-C4'-P energy: -62.691 tors. eta vs tors. theta energy: -126.620 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: 7 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1314.126462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.126462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.126462 (E_RNA) where: Base-Base interactions energy: -895.468 where: short stacking energy: -390.198 Base-Backbone interact. energy: -0.819 local terms energy: -417.839740 where: bonds (distance) C4'-P energy: -77.295 bonds (distance) P-C4' energy: -84.400 flat angles C4'-P-C4' energy: -91.905 flat angles P-C4'-P energy: -50.031 tors. eta vs tors. theta energy: -114.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1221.220098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.220098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.220098 (E_RNA) where: Base-Base interactions energy: -833.435 where: short stacking energy: -376.759 Base-Backbone interact. energy: -0.891 local terms energy: -386.893597 where: bonds (distance) C4'-P energy: -68.242 bonds (distance) P-C4' energy: -71.780 flat angles C4'-P-C4' energy: -85.665 flat angles P-C4'-P energy: -52.138 tors. eta vs tors. theta energy: -109.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1191.362578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.362578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.362578 (E_RNA) where: Base-Base interactions energy: -805.306 where: short stacking energy: -355.778 Base-Backbone interact. energy: -1.532 local terms energy: -384.524225 where: bonds (distance) C4'-P energy: -66.244 bonds (distance) P-C4' energy: -75.194 flat angles C4'-P-C4' energy: -86.252 flat angles P-C4'-P energy: -51.402 tors. eta vs tors. theta energy: -105.432 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: 9 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1080.378785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.378785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.378785 (E_RNA) where: Base-Base interactions energy: -734.953 where: short stacking energy: -302.057 Base-Backbone interact. energy: -1.800 local terms energy: -343.626067 where: bonds (distance) C4'-P energy: -66.078 bonds (distance) P-C4' energy: -67.742 flat angles C4'-P-C4' energy: -70.858 flat angles P-C4'-P energy: -58.109 tors. eta vs tors. theta energy: -80.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -923.245513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.245513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.245513 (E_RNA) where: Base-Base interactions energy: -587.229 where: short stacking energy: -284.099 Base-Backbone interact. energy: -0.788 local terms energy: -335.228546 where: bonds (distance) C4'-P energy: -76.792 bonds (distance) P-C4' energy: -69.233 flat angles C4'-P-C4' energy: -65.985 flat angles P-C4'-P energy: -47.095 tors. eta vs tors. theta energy: -76.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -954.294990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.294990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.294990 (E_RNA) where: Base-Base interactions energy: -652.121 where: short stacking energy: -278.421 Base-Backbone interact. energy: 1.704 local terms energy: -303.878650 where: bonds (distance) C4'-P energy: -53.818 bonds (distance) P-C4' energy: -69.165 flat angles C4'-P-C4' energy: -85.139 flat angles P-C4'-P energy: -27.640 tors. eta vs tors. theta energy: -68.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -669.046962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.046962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.046962 (E_RNA) where: Base-Base interactions energy: -422.469 where: short stacking energy: -208.371 Base-Backbone interact. energy: 0.470 local terms energy: -247.048740 where: bonds (distance) C4'-P energy: -68.500 bonds (distance) P-C4' energy: -68.057 flat angles C4'-P-C4' energy: -62.238 flat angles P-C4'-P energy: -19.941 tors. eta vs tors. theta energy: -28.313 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: 5 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -405.713034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.713034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.713034 (E_RNA) where: Base-Base interactions energy: -172.715 where: short stacking energy: -128.717 Base-Backbone interact. energy: -0.822 local terms energy: -232.175671 where: bonds (distance) C4'-P energy: -56.911 bonds (distance) P-C4' energy: -62.647 flat angles C4'-P-C4' energy: -57.277 flat angles P-C4'-P energy: -38.677 tors. eta vs tors. theta energy: -16.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -469.872515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.872515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.872515 (E_RNA) where: Base-Base interactions energy: -260.842 where: short stacking energy: -147.975 Base-Backbone interact. energy: -0.591 local terms energy: -208.439571 where: bonds (distance) C4'-P energy: -57.648 bonds (distance) P-C4' energy: -55.118 flat angles C4'-P-C4' energy: -51.191 flat angles P-C4'-P energy: -33.517 tors. eta vs tors. theta energy: -10.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1352.033642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.033642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.033642 (E_RNA) where: Base-Base interactions energy: -924.611 where: short stacking energy: -408.864 Base-Backbone interact. energy: -1.168 local terms energy: -426.255252 where: bonds (distance) C4'-P energy: -77.119 bonds (distance) P-C4' energy: -84.136 flat angles C4'-P-C4' energy: -83.876 flat angles P-C4'-P energy: -55.259 tors. eta vs tors. theta energy: -125.865 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: 2, replica: 2 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1328.989420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.989420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.989420 (E_RNA) where: Base-Base interactions energy: -916.214 where: short stacking energy: -418.412 Base-Backbone interact. energy: -1.360 local terms energy: -411.414834 where: bonds (distance) C4'-P energy: -75.806 bonds (distance) P-C4' energy: -81.656 flat angles C4'-P-C4' energy: -82.349 flat angles P-C4'-P energy: -56.847 tors. eta vs tors. theta energy: -114.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1240.681182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.681182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.681182 (E_RNA) where: Base-Base interactions energy: -851.107 where: short stacking energy: -358.875 Base-Backbone interact. energy: -0.723 local terms energy: -388.850922 where: bonds (distance) C4'-P energy: -59.110 bonds (distance) P-C4' energy: -84.249 flat angles C4'-P-C4' energy: -83.671 flat angles P-C4'-P energy: -56.620 tors. eta vs tors. theta energy: -105.200 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: 4 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1237.540025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.540025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.540025 (E_RNA) where: Base-Base interactions energy: -840.915 where: short stacking energy: -357.924 Base-Backbone interact. energy: -1.601 local terms energy: -395.024081 where: bonds (distance) C4'-P energy: -66.318 bonds (distance) P-C4' energy: -70.127 flat angles C4'-P-C4' energy: -90.454 flat angles P-C4'-P energy: -52.880 tors. eta vs tors. theta energy: -115.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1093.940421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.940421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.940421 (E_RNA) where: Base-Base interactions energy: -738.113 where: short stacking energy: -311.309 Base-Backbone interact. energy: 2.303 local terms energy: -358.129817 where: bonds (distance) C4'-P energy: -75.580 bonds (distance) P-C4' energy: -79.419 flat angles C4'-P-C4' energy: -72.182 flat angles P-C4'-P energy: -48.600 tors. eta vs tors. theta energy: -82.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -896.513658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.513658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.513658 (E_RNA) where: Base-Base interactions energy: -589.159 where: short stacking energy: -269.792 Base-Backbone interact. energy: 0.866 local terms energy: -308.221411 where: bonds (distance) C4'-P energy: -69.322 bonds (distance) P-C4' energy: -57.785 flat angles C4'-P-C4' energy: -62.991 flat angles P-C4'-P energy: -46.472 tors. eta vs tors. theta energy: -71.651 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: 7, replica: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -943.909025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.909025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.909025 (E_RNA) where: Base-Base interactions energy: -630.391 where: short stacking energy: -263.573 Base-Backbone interact. energy: -1.401 local terms energy: -312.117793 where: bonds (distance) C4'-P energy: -60.761 bonds (distance) P-C4' energy: -67.177 flat angles C4'-P-C4' energy: -80.319 flat angles P-C4'-P energy: -47.624 tors. eta vs tors. theta energy: -56.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -681.966221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.966221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.966221 (E_RNA) where: Base-Base interactions energy: -416.633 where: short stacking energy: -209.157 Base-Backbone interact. energy: 0.484 local terms energy: -265.817661 where: bonds (distance) C4'-P energy: -78.239 bonds (distance) P-C4' energy: -56.436 flat angles C4'-P-C4' energy: -52.085 flat angles P-C4'-P energy: -36.573 tors. eta vs tors. theta energy: -42.485 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: 9, replica: 6 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -448.853761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.853761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.853761 (E_RNA) where: Base-Base interactions energy: -239.356 where: short stacking energy: -139.876 Base-Backbone interact. energy: -1.540 local terms energy: -207.957399 where: bonds (distance) C4'-P energy: -64.332 bonds (distance) P-C4' energy: -51.969 flat angles C4'-P-C4' energy: -53.630 flat angles P-C4'-P energy: -30.211 tors. eta vs tors. theta energy: -7.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -395.351925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.351925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.351925 (E_RNA) where: Base-Base interactions energy: -173.448 where: short stacking energy: -115.768 Base-Backbone interact. energy: -0.296 local terms energy: -221.607524 where: bonds (distance) C4'-P energy: -59.907 bonds (distance) P-C4' energy: -75.480 flat angles C4'-P-C4' energy: -48.971 flat angles P-C4'-P energy: -37.779 tors. eta vs tors. theta energy: 0.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1337.303230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.303230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.303230 (E_RNA) where: Base-Base interactions energy: -919.541 where: short stacking energy: -420.178 Base-Backbone interact. energy: -0.129 local terms energy: -417.633425 where: bonds (distance) C4'-P energy: -77.372 bonds (distance) P-C4' energy: -70.142 flat angles C4'-P-C4' energy: -93.372 flat angles P-C4'-P energy: -57.533 tors. eta vs tors. theta energy: -119.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1329.688251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.688251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.688251 (E_RNA) where: Base-Base interactions energy: -910.993 where: short stacking energy: -389.742 Base-Backbone interact. energy: -0.624 local terms energy: -418.071338 where: bonds (distance) C4'-P energy: -71.576 bonds (distance) P-C4' energy: -79.675 flat angles C4'-P-C4' energy: -84.676 flat angles P-C4'-P energy: -58.026 tors. eta vs tors. theta energy: -124.118 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: 83 Temperature: 1.000000 Total energy: -1208.901469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.901469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.901469 (E_RNA) where: Base-Base interactions energy: -804.682 where: short stacking energy: -352.174 Base-Backbone interact. energy: -4.749 local terms energy: -399.470411 where: bonds (distance) C4'-P energy: -67.345 bonds (distance) P-C4' energy: -77.883 flat angles C4'-P-C4' energy: -81.659 flat angles P-C4'-P energy: -61.845 tors. eta vs tors. theta energy: -110.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1198.438767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.438767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.438767 (E_RNA) where: Base-Base interactions energy: -802.590 where: short stacking energy: -336.423 Base-Backbone interact. energy: -0.853 local terms energy: -394.995814 where: bonds (distance) C4'-P energy: -81.717 bonds (distance) P-C4' energy: -72.993 flat angles C4'-P-C4' energy: -83.992 flat angles P-C4'-P energy: -56.831 tors. eta vs tors. theta energy: -99.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1135.606325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.606325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.606325 (E_RNA) where: Base-Base interactions energy: -795.666 where: short stacking energy: -352.466 Base-Backbone interact. energy: -1.001 local terms energy: -338.938917 where: bonds (distance) C4'-P energy: -53.621 bonds (distance) P-C4' energy: -61.386 flat angles C4'-P-C4' energy: -80.396 flat angles P-C4'-P energy: -38.656 tors. eta vs tors. theta energy: -104.881 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: 3 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1058.103704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.103704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.103704 (E_RNA) where: Base-Base interactions energy: -732.200 where: short stacking energy: -289.336 Base-Backbone interact. energy: -0.762 local terms energy: -325.141658 where: bonds (distance) C4'-P energy: -65.421 bonds (distance) P-C4' energy: -72.203 flat angles C4'-P-C4' energy: -75.261 flat angles P-C4'-P energy: -39.326 tors. eta vs tors. theta energy: -72.930 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: 7, replica: 8 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -848.873843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.873843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.873843 (E_RNA) where: Base-Base interactions energy: -540.373 where: short stacking energy: -252.281 Base-Backbone interact. energy: 3.978 local terms energy: -312.478328 where: bonds (distance) C4'-P energy: -79.645 bonds (distance) P-C4' energy: -68.743 flat angles C4'-P-C4' energy: -71.955 flat angles P-C4'-P energy: -37.561 tors. eta vs tors. theta energy: -54.574 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: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -646.908150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.908150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.908150 (E_RNA) where: Base-Base interactions energy: -369.297 where: short stacking energy: -190.482 Base-Backbone interact. energy: -0.591 local terms energy: -277.020172 where: bonds (distance) C4'-P energy: -66.831 bonds (distance) P-C4' energy: -60.040 flat angles C4'-P-C4' energy: -68.531 flat angles P-C4'-P energy: -45.704 tors. eta vs tors. theta energy: -35.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -466.199635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.199635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.199635 (E_RNA) where: Base-Base interactions energy: -252.022 where: short stacking energy: -119.726 Base-Backbone interact. energy: 3.924 local terms energy: -218.101173 where: bonds (distance) C4'-P energy: -71.357 bonds (distance) P-C4' energy: -66.102 flat angles C4'-P-C4' energy: -52.505 flat angles P-C4'-P energy: -41.529 tors. eta vs tors. theta energy: 13.392 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: 5 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -376.728760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.728760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.728760 (E_RNA) where: Base-Base interactions energy: -161.844 where: short stacking energy: -104.152 Base-Backbone interact. energy: 2.246 local terms energy: -217.130669 where: bonds (distance) C4'-P energy: -66.552 bonds (distance) P-C4' energy: -70.633 flat angles C4'-P-C4' energy: -59.052 flat angles P-C4'-P energy: -17.973 tors. eta vs tors. theta energy: -2.921 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: 7 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1343.258488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.258488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.258488 (E_RNA) where: Base-Base interactions energy: -922.436 where: short stacking energy: -426.055 Base-Backbone interact. energy: -3.024 local terms energy: -417.797882 where: bonds (distance) C4'-P energy: -73.323 bonds (distance) P-C4' energy: -71.424 flat angles C4'-P-C4' energy: -95.520 flat angles P-C4'-P energy: -55.980 tors. eta vs tors. theta energy: -121.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1314.805159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.805159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.805159 (E_RNA) where: Base-Base interactions energy: -912.642 where: short stacking energy: -403.984 Base-Backbone interact. energy: -2.670 local terms energy: -399.494087 where: bonds (distance) C4'-P energy: -68.762 bonds (distance) P-C4' energy: -63.213 flat angles C4'-P-C4' energy: -84.450 flat angles P-C4'-P energy: -64.324 tors. eta vs tors. theta energy: -118.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1196.913853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.913853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.913853 (E_RNA) where: Base-Base interactions energy: -808.526 where: short stacking energy: -359.844 Base-Backbone interact. energy: -1.304 local terms energy: -387.084093 where: bonds (distance) C4'-P energy: -77.185 bonds (distance) P-C4' energy: -74.494 flat angles C4'-P-C4' energy: -79.314 flat angles P-C4'-P energy: -49.264 tors. eta vs tors. theta energy: -106.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1203.133266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.133266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.133266 (E_RNA) where: Base-Base interactions energy: -811.729 where: short stacking energy: -376.187 Base-Backbone interact. energy: -1.146 local terms energy: -390.257747 where: bonds (distance) C4'-P energy: -71.314 bonds (distance) P-C4' energy: -73.360 flat angles C4'-P-C4' energy: -83.500 flat angles P-C4'-P energy: -48.597 tors. eta vs tors. theta energy: -113.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1134.723194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.723194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.723194 (E_RNA) where: Base-Base interactions energy: -781.492 where: short stacking energy: -359.548 Base-Backbone interact. energy: -0.005 local terms energy: -353.226069 where: bonds (distance) C4'-P energy: -53.335 bonds (distance) P-C4' energy: -72.355 flat angles C4'-P-C4' energy: -82.511 flat angles P-C4'-P energy: -49.063 tors. eta vs tors. theta energy: -95.962 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: 3 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1066.970411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.970411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.970411 (E_RNA) where: Base-Base interactions energy: -759.012 where: short stacking energy: -312.524 Base-Backbone interact. energy: -0.150 local terms energy: -307.808957 where: bonds (distance) C4'-P energy: -69.754 bonds (distance) P-C4' energy: -54.175 flat angles C4'-P-C4' energy: -60.334 flat angles P-C4'-P energy: -50.014 tors. eta vs tors. theta energy: -73.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -819.753223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.753223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.753223 (E_RNA) where: Base-Base interactions energy: -532.793 where: short stacking energy: -258.431 Base-Backbone interact. energy: -0.889 local terms energy: -286.070768 where: bonds (distance) C4'-P energy: -69.738 bonds (distance) P-C4' energy: -66.802 flat angles C4'-P-C4' energy: -67.415 flat angles P-C4'-P energy: -28.781 tors. eta vs tors. theta energy: -53.335 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: 10 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -612.214170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.214170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.214170 (E_RNA) where: Base-Base interactions energy: -348.088 where: short stacking energy: -171.391 Base-Backbone interact. energy: 0.321 local terms energy: -264.447133 where: bonds (distance) C4'-P energy: -68.443 bonds (distance) P-C4' energy: -78.645 flat angles C4'-P-C4' energy: -53.893 flat angles P-C4'-P energy: -45.451 tors. eta vs tors. theta energy: -18.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -486.379139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.379139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.379139 (E_RNA) where: Base-Base interactions energy: -272.194 where: short stacking energy: -140.159 Base-Backbone interact. energy: 0.751 local terms energy: -214.936163 where: bonds (distance) C4'-P energy: -73.660 bonds (distance) P-C4' energy: -61.583 flat angles C4'-P-C4' energy: -45.370 flat angles P-C4'-P energy: -31.575 tors. eta vs tors. theta energy: -2.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -336.987255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.987255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.987255 (E_RNA) where: Base-Base interactions energy: -116.202 where: short stacking energy: -76.087 Base-Backbone interact. energy: 0.608 local terms energy: -221.393298 where: bonds (distance) C4'-P energy: -66.899 bonds (distance) P-C4' energy: -73.772 flat angles C4'-P-C4' energy: -56.862 flat angles P-C4'-P energy: -41.815 tors. eta vs tors. theta energy: 17.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1362.490891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.490891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.490891 (E_RNA) where: Base-Base interactions energy: -947.182 where: short stacking energy: -412.475 Base-Backbone interact. energy: -2.604 local terms energy: -412.704891 where: bonds (distance) C4'-P energy: -78.098 bonds (distance) P-C4' energy: -82.440 flat angles C4'-P-C4' energy: -78.010 flat angles P-C4'-P energy: -57.130 tors. eta vs tors. theta energy: -117.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1315.736379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.736379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.736379 (E_RNA) where: Base-Base interactions energy: -897.045 where: short stacking energy: -414.526 Base-Backbone interact. energy: -1.295 local terms energy: -417.396340 where: bonds (distance) C4'-P energy: -78.956 bonds (distance) P-C4' energy: -63.822 flat angles C4'-P-C4' energy: -95.267 flat angles P-C4'-P energy: -60.869 tors. eta vs tors. theta energy: -118.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1209.128394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.128394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.128394 (E_RNA) where: Base-Base interactions energy: -796.592 where: short stacking energy: -342.915 Base-Backbone interact. energy: -1.691 local terms energy: -410.845992 where: bonds (distance) C4'-P energy: -80.022 bonds (distance) P-C4' energy: -68.428 flat angles C4'-P-C4' energy: -88.043 flat angles P-C4'-P energy: -66.158 tors. eta vs tors. theta energy: -108.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1154.059985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.059985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.059985 (E_RNA) where: Base-Base interactions energy: -774.072 where: short stacking energy: -329.898 Base-Backbone interact. energy: -2.405 local terms energy: -377.582841 where: bonds (distance) C4'-P energy: -71.961 bonds (distance) P-C4' energy: -78.069 flat angles C4'-P-C4' energy: -90.637 flat angles P-C4'-P energy: -53.515 tors. eta vs tors. theta energy: -83.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1139.747169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.747169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.747169 (E_RNA) where: Base-Base interactions energy: -790.230 where: short stacking energy: -341.412 Base-Backbone interact. energy: -0.172 local terms energy: -349.345524 where: bonds (distance) C4'-P energy: -68.120 bonds (distance) P-C4' energy: -62.840 flat angles C4'-P-C4' energy: -81.762 flat angles P-C4'-P energy: -47.371 tors. eta vs tors. theta energy: -89.254 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: 6, replica: 3 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1049.317650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.317650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.317650 (E_RNA) where: Base-Base interactions energy: -731.900 where: short stacking energy: -309.909 Base-Backbone interact. energy: -1.134 local terms energy: -316.284182 where: bonds (distance) C4'-P energy: -69.549 bonds (distance) P-C4' energy: -47.206 flat angles C4'-P-C4' energy: -81.804 flat angles P-C4'-P energy: -45.461 tors. eta vs tors. theta energy: -72.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -765.606411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.606411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.606411 (E_RNA) where: Base-Base interactions energy: -512.422 where: short stacking energy: -249.140 Base-Backbone interact. energy: 0.433 local terms energy: -253.617571 where: bonds (distance) C4'-P energy: -42.482 bonds (distance) P-C4' energy: -65.138 flat angles C4'-P-C4' energy: -64.614 flat angles P-C4'-P energy: -42.369 tors. eta vs tors. theta energy: -39.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -643.218395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.218395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.218395 (E_RNA) where: Base-Base interactions energy: -374.663 where: short stacking energy: -177.411 Base-Backbone interact. energy: -1.906 local terms energy: -266.649276 where: bonds (distance) C4'-P energy: -62.174 bonds (distance) P-C4' energy: -69.081 flat angles C4'-P-C4' energy: -58.588 flat angles P-C4'-P energy: -50.296 tors. eta vs tors. theta energy: -26.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -460.017758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.017758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.017758 (E_RNA) where: Base-Base interactions energy: -240.775 where: short stacking energy: -119.845 Base-Backbone interact. energy: 3.616 local terms energy: -222.857880 where: bonds (distance) C4'-P energy: -70.000 bonds (distance) P-C4' energy: -64.199 flat angles C4'-P-C4' energy: -46.023 flat angles P-C4'-P energy: -38.060 tors. eta vs tors. theta energy: -4.576 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: 5 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -324.442600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.442600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.442600 (E_RNA) where: Base-Base interactions energy: -112.955 where: short stacking energy: -95.802 Base-Backbone interact. energy: 4.297 local terms energy: -215.784496 where: bonds (distance) C4'-P energy: -58.998 bonds (distance) P-C4' energy: -66.170 flat angles C4'-P-C4' energy: -48.121 flat angles P-C4'-P energy: -49.954 tors. eta vs tors. theta energy: 7.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1344.940410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.940410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.940410 (E_RNA) where: Base-Base interactions energy: -918.256 where: short stacking energy: -400.132 Base-Backbone interact. energy: 0.115 local terms energy: -426.799591 where: bonds (distance) C4'-P energy: -79.183 bonds (distance) P-C4' energy: -78.770 flat angles C4'-P-C4' energy: -86.830 flat angles P-C4'-P energy: -68.812 tors. eta vs tors. theta energy: -113.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1325.272967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.272967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.272967 (E_RNA) where: Base-Base interactions energy: -889.182 where: short stacking energy: -404.352 Base-Backbone interact. energy: -2.299 local terms energy: -433.792503 where: bonds (distance) C4'-P energy: -79.980 bonds (distance) P-C4' energy: -83.692 flat angles C4'-P-C4' energy: -90.924 flat angles P-C4'-P energy: -54.201 tors. eta vs tors. theta energy: -124.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1229.690193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.690193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.690193 (E_RNA) where: Base-Base interactions energy: -848.647 where: short stacking energy: -352.107 Base-Backbone interact. energy: -0.214 local terms energy: -380.829198 where: bonds (distance) C4'-P energy: -82.755 bonds (distance) P-C4' energy: -74.522 flat angles C4'-P-C4' energy: -75.470 flat angles P-C4'-P energy: -44.048 tors. eta vs tors. theta energy: -104.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1204.943836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.943836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.943836 (E_RNA) where: Base-Base interactions energy: -816.282 where: short stacking energy: -347.641 Base-Backbone interact. energy: 0.562 local terms energy: -389.223611 where: bonds (distance) C4'-P energy: -62.098 bonds (distance) P-C4' energy: -71.868 flat angles C4'-P-C4' energy: -89.048 flat angles P-C4'-P energy: -64.005 tors. eta vs tors. theta energy: -102.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1176.041708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.041708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.041708 (E_RNA) where: Base-Base interactions energy: -794.670 where: short stacking energy: -349.864 Base-Backbone interact. energy: -1.295 local terms energy: -380.077013 where: bonds (distance) C4'-P energy: -70.372 bonds (distance) P-C4' energy: -74.695 flat angles C4'-P-C4' energy: -85.430 flat angles P-C4'-P energy: -53.950 tors. eta vs tors. theta energy: -95.630 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: 3 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1115.066844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.066844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.066844 (E_RNA) where: Base-Base interactions energy: -737.029 where: short stacking energy: -326.138 Base-Backbone interact. energy: -0.677 local terms energy: -377.361274 where: bonds (distance) C4'-P energy: -76.791 bonds (distance) P-C4' energy: -73.460 flat angles C4'-P-C4' energy: -84.233 flat angles P-C4'-P energy: -58.291 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: 7, replica: 8 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -799.420825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.420825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.420825 (E_RNA) where: Base-Base interactions energy: -506.655 where: short stacking energy: -230.453 Base-Backbone interact. energy: -1.394 local terms energy: -291.371778 where: bonds (distance) C4'-P energy: -56.596 bonds (distance) P-C4' energy: -75.087 flat angles C4'-P-C4' energy: -66.828 flat angles P-C4'-P energy: -39.475 tors. eta vs tors. theta energy: -53.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -642.098034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.098034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.098034 (E_RNA) where: Base-Base interactions energy: -384.601 where: short stacking energy: -183.291 Base-Backbone interact. energy: -0.898 local terms energy: -256.598887 where: bonds (distance) C4'-P energy: -56.619 bonds (distance) P-C4' energy: -77.769 flat angles C4'-P-C4' energy: -57.067 flat angles P-C4'-P energy: -46.635 tors. eta vs tors. theta energy: -18.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -556.573060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.573060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.573060 (E_RNA) where: Base-Base interactions energy: -306.563 where: short stacking energy: -154.424 Base-Backbone interact. energy: -1.094 local terms energy: -248.916010 where: bonds (distance) C4'-P energy: -62.676 bonds (distance) P-C4' energy: -64.246 flat angles C4'-P-C4' energy: -71.238 flat angles P-C4'-P energy: -37.889 tors. eta vs tors. theta energy: -12.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -338.073501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.073501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.073501 (E_RNA) where: Base-Base interactions energy: -121.394 where: short stacking energy: -112.929 Base-Backbone interact. energy: -0.694 local terms energy: -215.985118 where: bonds (distance) C4'-P energy: -70.201 bonds (distance) P-C4' energy: -65.577 flat angles C4'-P-C4' energy: -61.272 flat angles P-C4'-P energy: -21.665 tors. eta vs tors. theta energy: 2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1357.430605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.430605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.430605 (E_RNA) where: Base-Base interactions energy: -929.868 where: short stacking energy: -412.037 Base-Backbone interact. energy: 1.598 local terms energy: -429.160009 where: bonds (distance) C4'-P energy: -79.850 bonds (distance) P-C4' energy: -74.363 flat angles C4'-P-C4' energy: -76.890 flat angles P-C4'-P energy: -64.826 tors. eta vs tors. theta energy: -133.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1323.743448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.743448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.743448 (E_RNA) where: Base-Base interactions energy: -893.982 where: short stacking energy: -389.328 Base-Backbone interact. energy: -0.931 local terms energy: -428.829945 where: bonds (distance) C4'-P energy: -80.427 bonds (distance) P-C4' energy: -79.270 flat angles C4'-P-C4' energy: -90.325 flat angles P-C4'-P energy: -56.009 tors. eta vs tors. theta energy: -122.798 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: 9 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1207.713503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.713503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.713503 (E_RNA) where: Base-Base interactions energy: -836.590 where: short stacking energy: -354.795 Base-Backbone interact. energy: 5.989 local terms energy: -377.112940 where: bonds (distance) C4'-P energy: -71.599 bonds (distance) P-C4' energy: -70.689 flat angles C4'-P-C4' energy: -86.874 flat angles P-C4'-P energy: -48.444 tors. eta vs tors. theta energy: -99.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1179.271454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.271454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.271454 (E_RNA) where: Base-Base interactions energy: -804.606 where: short stacking energy: -345.358 Base-Backbone interact. energy: 2.187 local terms energy: -376.852584 where: bonds (distance) C4'-P energy: -65.149 bonds (distance) P-C4' energy: -71.505 flat angles C4'-P-C4' energy: -82.726 flat angles P-C4'-P energy: -55.573 tors. eta vs tors. theta energy: -101.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1192.798704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.798704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.798704 (E_RNA) where: Base-Base interactions energy: -807.803 where: short stacking energy: -357.605 Base-Backbone interact. energy: -1.037 local terms energy: -383.958527 where: bonds (distance) C4'-P energy: -60.900 bonds (distance) P-C4' energy: -74.573 flat angles C4'-P-C4' energy: -95.328 flat angles P-C4'-P energy: -49.967 tors. eta vs tors. theta energy: -103.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1103.270152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.270152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.270152 (E_RNA) where: Base-Base interactions energy: -737.136 where: short stacking energy: -318.187 Base-Backbone interact. energy: 3.659 local terms energy: -369.792992 where: bonds (distance) C4'-P energy: -62.516 bonds (distance) P-C4' energy: -76.609 flat angles C4'-P-C4' energy: -83.545 flat angles P-C4'-P energy: -62.239 tors. eta vs tors. theta energy: -84.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -810.303073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.303073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.303073 (E_RNA) where: Base-Base interactions energy: -511.471 where: short stacking energy: -226.920 Base-Backbone interact. energy: -1.529 local terms energy: -297.302483 where: bonds (distance) C4'-P energy: -62.409 bonds (distance) P-C4' energy: -71.566 flat angles C4'-P-C4' energy: -65.175 flat angles P-C4'-P energy: -55.287 tors. eta vs tors. theta energy: -42.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -666.892536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.892536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.892536 (E_RNA) where: Base-Base interactions energy: -395.985 where: short stacking energy: -190.470 Base-Backbone interact. energy: 2.754 local terms energy: -273.661999 where: bonds (distance) C4'-P energy: -62.052 bonds (distance) P-C4' energy: -76.664 flat angles C4'-P-C4' energy: -60.418 flat angles P-C4'-P energy: -52.043 tors. eta vs tors. theta energy: -22.485 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: 9, replica: 6 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -527.751335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.751335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.751335 (E_RNA) where: Base-Base interactions energy: -268.940 where: short stacking energy: -131.152 Base-Backbone interact. energy: 0.390 local terms energy: -259.201518 where: bonds (distance) C4'-P energy: -74.997 bonds (distance) P-C4' energy: -69.853 flat angles C4'-P-C4' energy: -64.610 flat angles P-C4'-P energy: -42.672 tors. eta vs tors. theta energy: -7.070 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: 10, replica: 5 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -336.229794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.229794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.229794 (E_RNA) where: Base-Base interactions energy: -133.563 where: short stacking energy: -98.422 Base-Backbone interact. energy: -0.775 local terms energy: -201.891154 where: bonds (distance) C4'-P energy: -75.046 bonds (distance) P-C4' energy: -61.258 flat angles C4'-P-C4' energy: -37.154 flat angles P-C4'-P energy: -30.579 tors. eta vs tors. theta energy: 2.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1350.977744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.977744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.977744 (E_RNA) where: Base-Base interactions energy: -927.240 where: short stacking energy: -417.490 Base-Backbone interact. energy: -0.817 local terms energy: -422.920899 where: bonds (distance) C4'-P energy: -68.348 bonds (distance) P-C4' energy: -78.781 flat angles C4'-P-C4' energy: -93.608 flat angles P-C4'-P energy: -54.335 tors. eta vs tors. theta energy: -127.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1335.528143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.528143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.528143 (E_RNA) where: Base-Base interactions energy: -925.252 where: short stacking energy: -407.357 Base-Backbone interact. energy: 1.893 local terms energy: -412.168402 where: bonds (distance) C4'-P energy: -69.029 bonds (distance) P-C4' energy: -77.395 flat angles C4'-P-C4' energy: -79.744 flat angles P-C4'-P energy: -60.109 tors. eta vs tors. theta energy: -125.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1220.779160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.779160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.779160 (E_RNA) where: Base-Base interactions energy: -823.238 where: short stacking energy: -356.186 Base-Backbone interact. energy: -2.485 local terms energy: -395.055656 where: bonds (distance) C4'-P energy: -72.723 bonds (distance) P-C4' energy: -72.264 flat angles C4'-P-C4' energy: -87.853 flat angles P-C4'-P energy: -61.591 tors. eta vs tors. theta energy: -100.624 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: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1186.600173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.600173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.600173 (E_RNA) where: Base-Base interactions energy: -796.690 where: short stacking energy: -353.211 Base-Backbone interact. energy: -1.223 local terms energy: -388.687967 where: bonds (distance) C4'-P energy: -64.530 bonds (distance) P-C4' energy: -80.291 flat angles C4'-P-C4' energy: -77.117 flat angles P-C4'-P energy: -55.143 tors. eta vs tors. theta energy: -111.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1205.072458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.072458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.072458 (E_RNA) where: Base-Base interactions energy: -802.945 where: short stacking energy: -365.218 Base-Backbone interact. energy: -3.452 local terms energy: -398.675687 where: bonds (distance) C4'-P energy: -71.613 bonds (distance) P-C4' energy: -73.244 flat angles C4'-P-C4' energy: -91.651 flat angles P-C4'-P energy: -50.127 tors. eta vs tors. theta energy: -112.040 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: 3 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1107.523788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.523788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.523788 (E_RNA) where: Base-Base interactions energy: -744.291 where: short stacking energy: -340.565 Base-Backbone interact. energy: -0.738 local terms energy: -362.494174 where: bonds (distance) C4'-P energy: -60.772 bonds (distance) P-C4' energy: -68.745 flat angles C4'-P-C4' energy: -87.348 flat angles P-C4'-P energy: -48.442 tors. eta vs tors. theta energy: -97.188 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: 8 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -853.590753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.590753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.590753 (E_RNA) where: Base-Base interactions energy: -550.253 where: short stacking energy: -243.854 Base-Backbone interact. energy: -1.225 local terms energy: -302.112678 where: bonds (distance) C4'-P energy: -60.352 bonds (distance) P-C4' energy: -68.794 flat angles C4'-P-C4' energy: -64.458 flat angles P-C4'-P energy: -50.642 tors. eta vs tors. theta energy: -57.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -663.922914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.922914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.922914 (E_RNA) where: Base-Base interactions energy: -403.312 where: short stacking energy: -209.832 Base-Backbone interact. energy: 0.722 local terms energy: -261.333591 where: bonds (distance) C4'-P energy: -56.002 bonds (distance) P-C4' energy: -79.051 flat angles C4'-P-C4' energy: -56.737 flat angles P-C4'-P energy: -37.860 tors. eta vs tors. theta energy: -31.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -505.299108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.299108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.299108 (E_RNA) where: Base-Base interactions energy: -277.353 where: short stacking energy: -147.397 Base-Backbone interact. energy: -0.218 local terms energy: -227.727967 where: bonds (distance) C4'-P energy: -59.775 bonds (distance) P-C4' energy: -69.493 flat angles C4'-P-C4' energy: -55.048 flat angles P-C4'-P energy: -35.572 tors. eta vs tors. theta energy: -7.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -308.913439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.913439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.913439 (E_RNA) where: Base-Base interactions energy: -110.716 where: short stacking energy: -72.296 Base-Backbone interact. energy: -0.090 local terms energy: -198.107719 where: bonds (distance) C4'-P energy: -60.079 bonds (distance) P-C4' energy: -56.205 flat angles C4'-P-C4' energy: -64.559 flat angles P-C4'-P energy: -34.221 tors. eta vs tors. theta energy: 16.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1386.864595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.864595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.864595 (E_RNA) where: Base-Base interactions energy: -924.326 where: short stacking energy: -417.394 Base-Backbone interact. energy: -3.333 local terms energy: -459.206254 where: bonds (distance) C4'-P energy: -90.104 bonds (distance) P-C4' energy: -81.260 flat angles C4'-P-C4' energy: -94.214 flat angles P-C4'-P energy: -61.237 tors. eta vs tors. theta energy: -132.390 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: 7 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1359.083420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.083420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.083420 (E_RNA) where: Base-Base interactions energy: -920.442 where: short stacking energy: -403.209 Base-Backbone interact. energy: -2.013 local terms energy: -436.628660 where: bonds (distance) C4'-P energy: -75.968 bonds (distance) P-C4' energy: -79.034 flat angles C4'-P-C4' energy: -91.815 flat angles P-C4'-P energy: -59.617 tors. eta vs tors. theta energy: -130.195 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: 9 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1186.942817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.942817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.942817 (E_RNA) where: Base-Base interactions energy: -814.459 where: short stacking energy: -358.583 Base-Backbone interact. energy: -1.734 local terms energy: -370.749976 where: bonds (distance) C4'-P energy: -71.873 bonds (distance) P-C4' energy: -74.732 flat angles C4'-P-C4' energy: -87.071 flat angles P-C4'-P energy: -45.459 tors. eta vs tors. theta energy: -91.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1188.054488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.054488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.054488 (E_RNA) where: Base-Base interactions energy: -803.834 where: short stacking energy: -356.207 Base-Backbone interact. energy: -0.284 local terms energy: -383.936400 where: bonds (distance) C4'-P energy: -73.002 bonds (distance) P-C4' energy: -82.390 flat angles C4'-P-C4' energy: -81.359 flat angles P-C4'-P energy: -58.161 tors. eta vs tors. theta energy: -89.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1140.821375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.821375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.821375 (E_RNA) where: Base-Base interactions energy: -775.947 where: short stacking energy: -330.004 Base-Backbone interact. energy: -0.028 local terms energy: -364.846218 where: bonds (distance) C4'-P energy: -64.073 bonds (distance) P-C4' energy: -76.389 flat angles C4'-P-C4' energy: -83.040 flat angles P-C4'-P energy: -40.720 tors. eta vs tors. theta energy: -100.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1118.846694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.846694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.846694 (E_RNA) where: Base-Base interactions energy: -763.801 where: short stacking energy: -336.128 Base-Backbone interact. energy: -0.250 local terms energy: -354.795512 where: bonds (distance) C4'-P energy: -65.541 bonds (distance) P-C4' energy: -76.047 flat angles C4'-P-C4' energy: -72.778 flat angles P-C4'-P energy: -59.336 tors. eta vs tors. theta energy: -81.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -822.080158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.080158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.080158 (E_RNA) where: Base-Base interactions energy: -518.946 where: short stacking energy: -242.276 Base-Backbone interact. energy: 0.537 local terms energy: -303.670697 where: bonds (distance) C4'-P energy: -74.502 bonds (distance) P-C4' energy: -70.933 flat angles C4'-P-C4' energy: -58.659 flat angles P-C4'-P energy: -52.778 tors. eta vs tors. theta energy: -46.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -702.017632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.017632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.017632 (E_RNA) where: Base-Base interactions energy: -438.056 where: short stacking energy: -203.566 Base-Backbone interact. energy: -0.212 local terms energy: -263.750267 where: bonds (distance) C4'-P energy: -66.594 bonds (distance) P-C4' energy: -67.335 flat angles C4'-P-C4' energy: -61.457 flat angles P-C4'-P energy: -42.446 tors. eta vs tors. theta energy: -25.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -522.241814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.241814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.241814 (E_RNA) where: Base-Base interactions energy: -304.928 where: short stacking energy: -190.063 Base-Backbone interact. energy: 4.251 local terms energy: -221.564622 where: bonds (distance) C4'-P energy: -48.380 bonds (distance) P-C4' energy: -71.828 flat angles C4'-P-C4' energy: -52.045 flat angles P-C4'-P energy: -24.177 tors. eta vs tors. theta energy: -25.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -355.461079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.461079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.461079 (E_RNA) where: Base-Base interactions energy: -134.409 where: short stacking energy: -99.352 Base-Backbone interact. energy: -1.001 local terms energy: -220.051028 where: bonds (distance) C4'-P energy: -71.736 bonds (distance) P-C4' energy: -65.119 flat angles C4'-P-C4' energy: -63.480 flat angles P-C4'-P energy: -31.919 tors. eta vs tors. theta energy: 12.205 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: 7 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1371.055316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.055316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.055316 (E_RNA) where: Base-Base interactions energy: -938.801 where: short stacking energy: -427.684 Base-Backbone interact. energy: -1.593 local terms energy: -430.661566 where: bonds (distance) C4'-P energy: -77.764 bonds (distance) P-C4' energy: -80.951 flat angles C4'-P-C4' energy: -80.326 flat angles P-C4'-P energy: -61.675 tors. eta vs tors. theta energy: -129.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1339.900584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.900584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.900584 (E_RNA) where: Base-Base interactions energy: -914.870 where: short stacking energy: -409.321 Base-Backbone interact. energy: -1.608 local terms energy: -423.423388 where: bonds (distance) C4'-P energy: -71.659 bonds (distance) P-C4' energy: -77.135 flat angles C4'-P-C4' energy: -95.860 flat angles P-C4'-P energy: -63.159 tors. eta vs tors. theta energy: -115.611 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: 90 Temperature: 1.000000 Total energy: -1217.125803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.125803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.125803 (E_RNA) where: Base-Base interactions energy: -827.571 where: short stacking energy: -371.342 Base-Backbone interact. energy: -3.052 local terms energy: -386.503099 where: bonds (distance) C4'-P energy: -69.765 bonds (distance) P-C4' energy: -78.828 flat angles C4'-P-C4' energy: -78.788 flat angles P-C4'-P energy: -55.230 tors. eta vs tors. theta energy: -103.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1170.581554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.581554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.581554 (E_RNA) where: Base-Base interactions energy: -796.587 where: short stacking energy: -358.384 Base-Backbone interact. energy: -0.508 local terms energy: -373.485792 where: bonds (distance) C4'-P energy: -72.704 bonds (distance) P-C4' energy: -67.385 flat angles C4'-P-C4' energy: -79.406 flat angles P-C4'-P energy: -50.766 tors. eta vs tors. theta energy: -103.226 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: 3 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1149.216625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.216625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.216625 (E_RNA) where: Base-Base interactions energy: -785.706 where: short stacking energy: -340.414 Base-Backbone interact. energy: 0.782 local terms energy: -364.292898 where: bonds (distance) C4'-P energy: -73.898 bonds (distance) P-C4' energy: -74.670 flat angles C4'-P-C4' energy: -78.513 flat angles P-C4'-P energy: -48.362 tors. eta vs tors. theta energy: -88.850 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: 1 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1030.096216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.096216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.096216 (E_RNA) where: Base-Base interactions energy: -668.260 where: short stacking energy: -309.008 Base-Backbone interact. energy: -1.526 local terms energy: -360.310767 where: bonds (distance) C4'-P energy: -73.150 bonds (distance) P-C4' energy: -75.508 flat angles C4'-P-C4' energy: -71.169 flat angles P-C4'-P energy: -55.308 tors. eta vs tors. theta energy: -85.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -844.528051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.528051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.528051 (E_RNA) where: Base-Base interactions energy: -544.798 where: short stacking energy: -258.913 Base-Backbone interact. energy: 0.856 local terms energy: -300.585323 where: bonds (distance) C4'-P energy: -65.158 bonds (distance) P-C4' energy: -71.855 flat angles C4'-P-C4' energy: -57.476 flat angles P-C4'-P energy: -41.365 tors. eta vs tors. theta energy: -64.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -758.053806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.053806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.053806 (E_RNA) where: Base-Base interactions energy: -478.194 where: short stacking energy: -218.772 Base-Backbone interact. energy: -1.912 local terms energy: -277.947501 where: bonds (distance) C4'-P energy: -59.165 bonds (distance) P-C4' energy: -71.413 flat angles C4'-P-C4' energy: -61.446 flat angles P-C4'-P energy: -50.836 tors. eta vs tors. theta energy: -35.089 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: 9, replica: 6 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -481.199401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.199401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.199401 (E_RNA) where: Base-Base interactions energy: -264.443 where: short stacking energy: -146.089 Base-Backbone interact. energy: 5.017 local terms energy: -221.773644 where: bonds (distance) C4'-P energy: -53.501 bonds (distance) P-C4' energy: -66.967 flat angles C4'-P-C4' energy: -64.088 flat angles P-C4'-P energy: -28.438 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: 5 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -318.607717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.607717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.607717 (E_RNA) where: Base-Base interactions energy: -127.006 where: short stacking energy: -98.634 Base-Backbone interact. energy: 0.662 local terms energy: -192.263193 where: bonds (distance) C4'-P energy: -55.607 bonds (distance) P-C4' energy: -61.660 flat angles C4'-P-C4' energy: -69.985 flat angles P-C4'-P energy: -18.443 tors. eta vs tors. theta energy: 13.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1365.346105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.346105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.346105 (E_RNA) where: Base-Base interactions energy: -926.469 where: short stacking energy: -411.758 Base-Backbone interact. energy: -4.094 local terms energy: -434.783164 where: bonds (distance) C4'-P energy: -84.545 bonds (distance) P-C4' energy: -77.788 flat angles C4'-P-C4' energy: -83.205 flat angles P-C4'-P energy: -63.573 tors. eta vs tors. theta energy: -125.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1342.827201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.827201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.827201 (E_RNA) where: Base-Base interactions energy: -918.620 where: short stacking energy: -411.055 Base-Backbone interact. energy: -0.301 local terms energy: -423.906201 where: bonds (distance) C4'-P energy: -74.067 bonds (distance) P-C4' energy: -79.279 flat angles C4'-P-C4' energy: -85.290 flat angles P-C4'-P energy: -58.343 tors. eta vs tors. theta energy: -126.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1242.319618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.319618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.319618 (E_RNA) where: Base-Base interactions energy: -840.973 where: short stacking energy: -359.730 Base-Backbone interact. energy: -2.468 local terms energy: -398.878296 where: bonds (distance) C4'-P energy: -74.706 bonds (distance) P-C4' energy: -68.996 flat angles C4'-P-C4' energy: -87.976 flat angles P-C4'-P energy: -60.445 tors. eta vs tors. theta energy: -106.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1206.340190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.340190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.340190 (E_RNA) where: Base-Base interactions energy: -818.312 where: short stacking energy: -352.935 Base-Backbone interact. energy: -0.756 local terms energy: -387.272364 where: bonds (distance) C4'-P energy: -71.366 bonds (distance) P-C4' energy: -75.921 flat angles C4'-P-C4' energy: -84.388 flat angles P-C4'-P energy: -56.538 tors. eta vs tors. theta energy: -99.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1183.245860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.245860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.245860 (E_RNA) where: Base-Base interactions energy: -802.426 where: short stacking energy: -350.940 Base-Backbone interact. energy: -1.587 local terms energy: -379.232511 where: bonds (distance) C4'-P energy: -70.664 bonds (distance) P-C4' energy: -84.388 flat angles C4'-P-C4' energy: -82.260 flat angles P-C4'-P energy: -54.691 tors. eta vs tors. theta energy: -87.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -994.758072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.758072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.758072 (E_RNA) where: Base-Base interactions energy: -639.883 where: short stacking energy: -272.358 Base-Backbone interact. energy: 0.326 local terms energy: -355.200676 where: bonds (distance) C4'-P energy: -68.076 bonds (distance) P-C4' energy: -77.691 flat angles C4'-P-C4' energy: -83.212 flat angles P-C4'-P energy: -46.471 tors. eta vs tors. theta energy: -79.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -843.928020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.928020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.928020 (E_RNA) where: Base-Base interactions energy: -525.376 where: short stacking energy: -230.760 Base-Backbone interact. energy: 1.245 local terms energy: -319.796891 where: bonds (distance) C4'-P energy: -77.552 bonds (distance) P-C4' energy: -69.558 flat angles C4'-P-C4' energy: -71.337 flat angles P-C4'-P energy: -53.854 tors. eta vs tors. theta energy: -47.496 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: 10 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -744.842652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.842652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.842652 (E_RNA) where: Base-Base interactions energy: -455.393 where: short stacking energy: -213.546 Base-Backbone interact. energy: 0.305 local terms energy: -289.755270 where: bonds (distance) C4'-P energy: -61.382 bonds (distance) P-C4' energy: -69.089 flat angles C4'-P-C4' energy: -68.685 flat angles P-C4'-P energy: -39.454 tors. eta vs tors. theta energy: -51.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -523.054264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.054264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.054264 (E_RNA) where: Base-Base interactions energy: -284.466 where: short stacking energy: -168.599 Base-Backbone interact. energy: 3.355 local terms energy: -241.942921 where: bonds (distance) C4'-P energy: -66.040 bonds (distance) P-C4' energy: -62.735 flat angles C4'-P-C4' energy: -73.887 flat angles P-C4'-P energy: -20.240 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: 10, replica: 5 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -323.837196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.837196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.837196 (E_RNA) where: Base-Base interactions energy: -109.250 where: short stacking energy: -81.075 Base-Backbone interact. energy: 1.518 local terms energy: -216.104878 where: bonds (distance) C4'-P energy: -52.103 bonds (distance) P-C4' energy: -84.603 flat angles C4'-P-C4' energy: -55.566 flat angles P-C4'-P energy: -36.866 tors. eta vs tors. theta energy: 13.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1359.285664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.285664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.285664 (E_RNA) where: Base-Base interactions energy: -933.582 where: short stacking energy: -426.417 Base-Backbone interact. energy: -2.296 local terms energy: -423.408014 where: bonds (distance) C4'-P energy: -77.524 bonds (distance) P-C4' energy: -73.555 flat angles C4'-P-C4' energy: -88.538 flat angles P-C4'-P energy: -58.689 tors. eta vs tors. theta energy: -125.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1334.224530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.224530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.224530 (E_RNA) where: Base-Base interactions energy: -921.400 where: short stacking energy: -414.429 Base-Backbone interact. energy: -2.073 local terms energy: -410.751231 where: bonds (distance) C4'-P energy: -76.010 bonds (distance) P-C4' energy: -71.335 flat angles C4'-P-C4' energy: -80.410 flat angles P-C4'-P energy: -68.050 tors. eta vs tors. theta energy: -114.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1227.014823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.014823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.014823 (E_RNA) where: Base-Base interactions energy: -826.462 where: short stacking energy: -350.087 Base-Backbone interact. energy: -1.944 local terms energy: -398.608388 where: bonds (distance) C4'-P energy: -75.389 bonds (distance) P-C4' energy: -72.155 flat angles C4'-P-C4' energy: -83.112 flat angles P-C4'-P energy: -66.128 tors. eta vs tors. theta energy: -101.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1156.332034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.332034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.332034 (E_RNA) where: Base-Base interactions energy: -794.403 where: short stacking energy: -331.429 Base-Backbone interact. energy: -1.755 local terms energy: -360.174502 where: bonds (distance) C4'-P energy: -67.886 bonds (distance) P-C4' energy: -72.982 flat angles C4'-P-C4' energy: -82.100 flat angles P-C4'-P energy: -46.635 tors. eta vs tors. theta energy: -90.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1170.029024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.029024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.029024 (E_RNA) where: Base-Base interactions energy: -810.772 where: short stacking energy: -345.178 Base-Backbone interact. energy: 4.695 local terms energy: -363.952284 where: bonds (distance) C4'-P energy: -63.833 bonds (distance) P-C4' energy: -69.395 flat angles C4'-P-C4' energy: -73.826 flat angles P-C4'-P energy: -57.592 tors. eta vs tors. theta energy: -99.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -950.709819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.709819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.709819 (E_RNA) where: Base-Base interactions energy: -616.040 where: short stacking energy: -275.511 Base-Backbone interact. energy: 2.521 local terms energy: -337.191167 where: bonds (distance) C4'-P energy: -79.229 bonds (distance) P-C4' energy: -67.690 flat angles C4'-P-C4' energy: -68.443 flat angles P-C4'-P energy: -36.831 tors. eta vs tors. theta energy: -84.999 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: 92 Temperature: 1.200000 Total energy: -811.182330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.182330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.182330 (E_RNA) where: Base-Base interactions energy: -515.228 where: short stacking energy: -233.734 Base-Backbone interact. energy: -1.300 local terms energy: -294.653574 where: bonds (distance) C4'-P energy: -64.601 bonds (distance) P-C4' energy: -68.445 flat angles C4'-P-C4' energy: -62.015 flat angles P-C4'-P energy: -47.426 tors. eta vs tors. theta energy: -52.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -773.160764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.160764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.160764 (E_RNA) where: Base-Base interactions energy: -501.104 where: short stacking energy: -212.886 Base-Backbone interact. energy: 3.313 local terms energy: -275.370177 where: bonds (distance) C4'-P energy: -65.136 bonds (distance) P-C4' energy: -62.524 flat angles C4'-P-C4' energy: -63.853 flat angles P-C4'-P energy: -44.372 tors. eta vs tors. theta energy: -39.485 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: 9, replica: 6 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -573.804808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.804808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.804808 (E_RNA) where: Base-Base interactions energy: -320.887 where: short stacking energy: -159.192 Base-Backbone interact. energy: -1.977 local terms energy: -250.940464 where: bonds (distance) C4'-P energy: -66.042 bonds (distance) P-C4' energy: -58.232 flat angles C4'-P-C4' energy: -59.998 flat angles P-C4'-P energy: -48.914 tors. eta vs tors. theta energy: -17.754 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: 5 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -337.055603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.055603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.055603 (E_RNA) where: Base-Base interactions energy: -118.279 where: short stacking energy: -94.601 Base-Backbone interact. energy: -1.089 local terms energy: -217.687471 where: bonds (distance) C4'-P energy: -72.381 bonds (distance) P-C4' energy: -73.573 flat angles C4'-P-C4' energy: -44.258 flat angles P-C4'-P energy: -35.769 tors. eta vs tors. theta energy: 8.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1365.339123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.339123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.339123 (E_RNA) where: Base-Base interactions energy: -938.646 where: short stacking energy: -425.619 Base-Backbone interact. energy: -1.841 local terms energy: -424.852752 where: bonds (distance) C4'-P energy: -69.362 bonds (distance) P-C4' energy: -76.137 flat angles C4'-P-C4' energy: -92.102 flat angles P-C4'-P energy: -56.357 tors. eta vs tors. theta energy: -130.895 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: 2 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1358.703162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.703162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.703162 (E_RNA) where: Base-Base interactions energy: -914.489 where: short stacking energy: -421.893 Base-Backbone interact. energy: -4.009 local terms energy: -440.204697 where: bonds (distance) C4'-P energy: -87.772 bonds (distance) P-C4' energy: -74.702 flat angles C4'-P-C4' energy: -94.393 flat angles P-C4'-P energy: -53.127 tors. eta vs tors. theta energy: -130.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1221.687149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.687149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.687149 (E_RNA) where: Base-Base interactions energy: -850.717 where: short stacking energy: -359.391 Base-Backbone interact. energy: 0.664 local terms energy: -371.634427 where: bonds (distance) C4'-P energy: -67.376 bonds (distance) P-C4' energy: -76.260 flat angles C4'-P-C4' energy: -81.315 flat angles P-C4'-P energy: -49.548 tors. eta vs tors. theta energy: -97.136 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: 4, replica: 9 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1159.429800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.429800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.429800 (E_RNA) where: Base-Base interactions energy: -816.439 where: short stacking energy: -344.130 Base-Backbone interact. energy: 1.158 local terms energy: -344.149087 where: bonds (distance) C4'-P energy: -60.523 bonds (distance) P-C4' energy: -67.720 flat angles C4'-P-C4' energy: -84.938 flat angles P-C4'-P energy: -38.538 tors. eta vs tors. theta energy: -92.430 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: 3 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1115.185648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.185648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.185648 (E_RNA) where: Base-Base interactions energy: -740.750 where: short stacking energy: -349.045 Base-Backbone interact. energy: -0.830 local terms energy: -373.605937 where: bonds (distance) C4'-P energy: -63.161 bonds (distance) P-C4' energy: -80.405 flat angles C4'-P-C4' energy: -79.450 flat angles P-C4'-P energy: -54.210 tors. eta vs tors. theta energy: -96.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1044.439280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.439280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.439280 (E_RNA) where: Base-Base interactions energy: -680.601 where: short stacking energy: -319.092 Base-Backbone interact. energy: 0.765 local terms energy: -364.603272 where: bonds (distance) C4'-P energy: -69.942 bonds (distance) P-C4' energy: -81.206 flat angles C4'-P-C4' energy: -86.205 flat angles P-C4'-P energy: -48.543 tors. eta vs tors. theta energy: -78.708 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: 8 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -810.239973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.239973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.239973 (E_RNA) where: Base-Base interactions energy: -496.333 where: short stacking energy: -244.509 Base-Backbone interact. energy: -1.890 local terms energy: -312.017029 where: bonds (distance) C4'-P energy: -64.698 bonds (distance) P-C4' energy: -78.120 flat angles C4'-P-C4' energy: -81.976 flat angles P-C4'-P energy: -28.282 tors. eta vs tors. theta energy: -58.941 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: 10 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -713.137694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.137694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.137694 (E_RNA) where: Base-Base interactions energy: -438.304 where: short stacking energy: -185.991 Base-Backbone interact. energy: 0.234 local terms energy: -275.067774 where: bonds (distance) C4'-P energy: -62.399 bonds (distance) P-C4' energy: -76.483 flat angles C4'-P-C4' energy: -70.169 flat angles P-C4'-P energy: -36.628 tors. eta vs tors. theta energy: -29.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -578.192936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.192936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.192936 (E_RNA) where: Base-Base interactions energy: -343.389 where: short stacking energy: -168.725 Base-Backbone interact. energy: -0.018 local terms energy: -234.786180 where: bonds (distance) C4'-P energy: -74.700 bonds (distance) P-C4' energy: -71.620 flat angles C4'-P-C4' energy: -63.446 flat angles P-C4'-P energy: -4.816 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: 5 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -315.749246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.749246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.749246 (E_RNA) where: Base-Base interactions energy: -92.340 where: short stacking energy: -88.618 Base-Backbone interact. energy: 1.311 local terms energy: -224.720293 where: bonds (distance) C4'-P energy: -66.200 bonds (distance) P-C4' energy: -70.815 flat angles C4'-P-C4' energy: -60.700 flat angles P-C4'-P energy: -34.183 tors. eta vs tors. theta energy: 7.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1377.786358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.786358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.786358 (E_RNA) where: Base-Base interactions energy: -947.398 where: short stacking energy: -422.965 Base-Backbone interact. energy: -0.459 local terms energy: -429.929930 where: bonds (distance) C4'-P energy: -74.960 bonds (distance) P-C4' energy: -82.446 flat angles C4'-P-C4' energy: -89.562 flat angles P-C4'-P energy: -60.245 tors. eta vs tors. theta energy: -122.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1339.160882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.160882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.160882 (E_RNA) where: Base-Base interactions energy: -911.569 where: short stacking energy: -421.444 Base-Backbone interact. energy: -1.706 local terms energy: -425.885564 where: bonds (distance) C4'-P energy: -75.293 bonds (distance) P-C4' energy: -71.649 flat angles C4'-P-C4' energy: -96.168 flat angles P-C4'-P energy: -51.223 tors. eta vs tors. theta energy: -131.553 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: 4 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1216.346217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.346217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.346217 (E_RNA) where: Base-Base interactions energy: -831.400 where: short stacking energy: -366.887 Base-Backbone interact. energy: -0.656 local terms energy: -384.290048 where: bonds (distance) C4'-P energy: -66.101 bonds (distance) P-C4' energy: -71.732 flat angles C4'-P-C4' energy: -94.800 flat angles P-C4'-P energy: -48.025 tors. eta vs tors. theta energy: -103.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1172.471927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.471927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.471927 (E_RNA) where: Base-Base interactions energy: -798.530 where: short stacking energy: -345.713 Base-Backbone interact. energy: 1.884 local terms energy: -375.825950 where: bonds (distance) C4'-P energy: -74.926 bonds (distance) P-C4' energy: -85.759 flat angles C4'-P-C4' energy: -79.805 flat angles P-C4'-P energy: -44.266 tors. eta vs tors. theta energy: -91.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1156.811910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.811910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.811910 (E_RNA) where: Base-Base interactions energy: -801.829 where: short stacking energy: -346.615 Base-Backbone interact. energy: -0.984 local terms energy: -353.998524 where: bonds (distance) C4'-P energy: -76.638 bonds (distance) P-C4' energy: -59.431 flat angles C4'-P-C4' energy: -73.438 flat angles P-C4'-P energy: -55.035 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: 6, replica: 1 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1024.139883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.139883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.139883 (E_RNA) where: Base-Base interactions energy: -672.281 where: short stacking energy: -312.780 Base-Backbone interact. energy: -0.247 local terms energy: -351.612246 where: bonds (distance) C4'-P energy: -58.662 bonds (distance) P-C4' energy: -86.978 flat angles C4'-P-C4' energy: -76.772 flat angles P-C4'-P energy: -46.562 tors. eta vs tors. theta energy: -82.638 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: 94 Temperature: 1.200000 Total energy: -798.238968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.238968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.238968 (E_RNA) where: Base-Base interactions energy: -505.197 where: short stacking energy: -229.303 Base-Backbone interact. energy: -0.579 local terms energy: -292.462549 where: bonds (distance) C4'-P energy: -67.786 bonds (distance) P-C4' energy: -70.259 flat angles C4'-P-C4' energy: -60.080 flat angles P-C4'-P energy: -42.823 tors. eta vs tors. theta energy: -51.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -709.811930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.811930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.811930 (E_RNA) where: Base-Base interactions energy: -421.656 where: short stacking energy: -193.388 Base-Backbone interact. energy: 0.059 local terms energy: -288.215537 where: bonds (distance) C4'-P energy: -68.631 bonds (distance) P-C4' energy: -83.977 flat angles C4'-P-C4' energy: -63.803 flat angles P-C4'-P energy: -36.647 tors. eta vs tors. theta energy: -35.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -543.311319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.311319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.311319 (E_RNA) where: Base-Base interactions energy: -316.518 where: short stacking energy: -165.873 Base-Backbone interact. energy: -0.018 local terms energy: -226.774972 where: bonds (distance) C4'-P energy: -64.763 bonds (distance) P-C4' energy: -62.914 flat angles C4'-P-C4' energy: -54.628 flat angles P-C4'-P energy: -42.174 tors. eta vs tors. theta energy: -2.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -357.768492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.768492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.768492 (E_RNA) where: Base-Base interactions energy: -134.964 where: short stacking energy: -113.026 Base-Backbone interact. energy: -1.346 local terms energy: -221.457675 where: bonds (distance) C4'-P energy: -67.237 bonds (distance) P-C4' energy: -65.920 flat angles C4'-P-C4' energy: -50.206 flat angles P-C4'-P energy: -38.327 tors. eta vs tors. theta energy: 0.232 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: 2 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1385.395612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.395612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.395612 (E_RNA) where: Base-Base interactions energy: -939.717 where: short stacking energy: -409.987 Base-Backbone interact. energy: -2.699 local terms energy: -442.979295 where: bonds (distance) C4'-P energy: -83.187 bonds (distance) P-C4' energy: -83.785 flat angles C4'-P-C4' energy: -97.521 flat angles P-C4'-P energy: -55.757 tors. eta vs tors. theta energy: -122.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1323.882645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.882645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.882645 (E_RNA) where: Base-Base interactions energy: -913.764 where: short stacking energy: -413.818 Base-Backbone interact. energy: -2.551 local terms energy: -407.568328 where: bonds (distance) C4'-P energy: -68.751 bonds (distance) P-C4' energy: -70.484 flat angles C4'-P-C4' energy: -90.103 flat angles P-C4'-P energy: -58.555 tors. eta vs tors. theta energy: -119.675 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: 3, replica: 4 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1217.231849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.231849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.231849 (E_RNA) where: Base-Base interactions energy: -824.546 where: short stacking energy: -369.660 Base-Backbone interact. energy: -0.776 local terms energy: -391.909353 where: bonds (distance) C4'-P energy: -76.321 bonds (distance) P-C4' energy: -90.624 flat angles C4'-P-C4' energy: -81.803 flat angles P-C4'-P energy: -39.611 tors. eta vs tors. theta energy: -103.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1194.598183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.598183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.598183 (E_RNA) where: Base-Base interactions energy: -819.853 where: short stacking energy: -376.706 Base-Backbone interact. energy: -3.607 local terms energy: -371.137365 where: bonds (distance) C4'-P energy: -73.304 bonds (distance) P-C4' energy: -63.180 flat angles C4'-P-C4' energy: -85.697 flat angles P-C4'-P energy: -45.167 tors. eta vs tors. theta energy: -103.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1138.127664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.127664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.127664 (E_RNA) where: Base-Base interactions energy: -781.622 where: short stacking energy: -344.906 Base-Backbone interact. energy: -1.029 local terms energy: -355.476431 where: bonds (distance) C4'-P energy: -67.199 bonds (distance) P-C4' energy: -65.441 flat angles C4'-P-C4' energy: -72.357 flat angles P-C4'-P energy: -40.520 tors. eta vs tors. theta energy: -109.960 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: 6, replica: 1 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -987.009164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.009164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.009164 (E_RNA) where: Base-Base interactions energy: -652.675 where: short stacking energy: -294.275 Base-Backbone interact. energy: -0.890 local terms energy: -333.443437 where: bonds (distance) C4'-P energy: -62.997 bonds (distance) P-C4' energy: -83.321 flat angles C4'-P-C4' energy: -71.840 flat angles P-C4'-P energy: -42.049 tors. eta vs tors. theta energy: -73.236 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: 7, replica: 8 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -741.325357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.325357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.325357 (E_RNA) where: Base-Base interactions energy: -451.496 where: short stacking energy: -208.987 Base-Backbone interact. energy: -1.375 local terms energy: -288.454087 where: bonds (distance) C4'-P energy: -67.930 bonds (distance) P-C4' energy: -62.716 flat angles C4'-P-C4' energy: -70.189 flat angles P-C4'-P energy: -39.303 tors. eta vs tors. theta energy: -48.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -700.044527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.044527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.044527 (E_RNA) where: Base-Base interactions energy: -417.728 where: short stacking energy: -218.786 Base-Backbone interact. energy: -1.112 local terms energy: -281.204736 where: bonds (distance) C4'-P energy: -59.881 bonds (distance) P-C4' energy: -66.470 flat angles C4'-P-C4' energy: -74.854 flat angles P-C4'-P energy: -36.638 tors. eta vs tors. theta energy: -43.361 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: 6 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -519.009451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.009451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.009451 (E_RNA) where: Base-Base interactions energy: -293.433 where: short stacking energy: -155.562 Base-Backbone interact. energy: -0.506 local terms energy: -225.069796 where: bonds (distance) C4'-P energy: -53.582 bonds (distance) P-C4' energy: -62.059 flat angles C4'-P-C4' energy: -61.738 flat angles P-C4'-P energy: -33.934 tors. eta vs tors. theta energy: -13.757 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: 5 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -323.471028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.471028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.471028 (E_RNA) where: Base-Base interactions energy: -109.094 where: short stacking energy: -97.207 Base-Backbone interact. energy: -1.649 local terms energy: -212.728010 where: bonds (distance) C4'-P energy: -61.741 bonds (distance) P-C4' energy: -69.102 flat angles C4'-P-C4' energy: -42.511 flat angles P-C4'-P energy: -43.047 tors. eta vs tors. theta energy: 3.673 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: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1340.259231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.259231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.259231 (E_RNA) where: Base-Base interactions energy: -916.440 where: short stacking energy: -407.013 Base-Backbone interact. energy: -1.193 local terms energy: -422.625528 where: bonds (distance) C4'-P energy: -75.850 bonds (distance) P-C4' energy: -84.108 flat angles C4'-P-C4' energy: -89.957 flat angles P-C4'-P energy: -48.719 tors. eta vs tors. theta energy: -123.991 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: 2 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1364.728571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.728571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.728571 (E_RNA) where: Base-Base interactions energy: -925.150 where: short stacking energy: -400.081 Base-Backbone interact. energy: -2.885 local terms energy: -436.693280 where: bonds (distance) C4'-P energy: -82.802 bonds (distance) P-C4' energy: -84.428 flat angles C4'-P-C4' energy: -91.670 flat angles P-C4'-P energy: -60.546 tors. eta vs tors. theta energy: -117.247 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: 3, replica: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1246.551089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.551089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.551089 (E_RNA) where: Base-Base interactions energy: -840.742 where: short stacking energy: -399.800 Base-Backbone interact. energy: 2.306 local terms energy: -408.115216 where: bonds (distance) C4'-P energy: -77.360 bonds (distance) P-C4' energy: -76.047 flat angles C4'-P-C4' energy: -88.523 flat angles P-C4'-P energy: -54.133 tors. eta vs tors. theta energy: -112.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1174.717422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.717422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.717422 (E_RNA) where: Base-Base interactions energy: -813.114 where: short stacking energy: -343.338 Base-Backbone interact. energy: -1.199 local terms energy: -360.404598 where: bonds (distance) C4'-P energy: -60.346 bonds (distance) P-C4' energy: -77.366 flat angles C4'-P-C4' energy: -77.168 flat angles P-C4'-P energy: -42.967 tors. eta vs tors. theta energy: -102.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1136.424544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.424544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.424544 (E_RNA) where: Base-Base interactions energy: -776.524 where: short stacking energy: -337.962 Base-Backbone interact. energy: -1.819 local terms energy: -358.081540 where: bonds (distance) C4'-P energy: -67.082 bonds (distance) P-C4' energy: -68.162 flat angles C4'-P-C4' energy: -73.698 flat angles P-C4'-P energy: -53.993 tors. eta vs tors. theta energy: -95.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -948.061647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.061647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.061647 (E_RNA) where: Base-Base interactions energy: -617.093 where: short stacking energy: -293.621 Base-Backbone interact. energy: -1.577 local terms energy: -329.391798 where: bonds (distance) C4'-P energy: -61.827 bonds (distance) P-C4' energy: -73.218 flat angles C4'-P-C4' energy: -77.243 flat angles P-C4'-P energy: -44.013 tors. eta vs tors. theta energy: -73.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -755.008224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.008224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.008224 (E_RNA) where: Base-Base interactions energy: -484.494 where: short stacking energy: -241.404 Base-Backbone interact. energy: -1.522 local terms energy: -268.992075 where: bonds (distance) C4'-P energy: -44.091 bonds (distance) P-C4' energy: -56.718 flat angles C4'-P-C4' energy: -83.526 flat angles P-C4'-P energy: -27.552 tors. eta vs tors. theta energy: -57.106 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: 8, replica: 10 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -678.944147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.944147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.944147 (E_RNA) where: Base-Base interactions energy: -408.052 where: short stacking energy: -165.307 Base-Backbone interact. energy: -1.944 local terms energy: -268.948327 where: bonds (distance) C4'-P energy: -68.383 bonds (distance) P-C4' energy: -51.106 flat angles C4'-P-C4' energy: -64.447 flat angles P-C4'-P energy: -46.492 tors. eta vs tors. theta energy: -38.520 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: 9, replica: 6 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -518.011105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.011105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.011105 (E_RNA) where: Base-Base interactions energy: -267.545 where: short stacking energy: -137.043 Base-Backbone interact. energy: -1.836 local terms energy: -248.630214 where: bonds (distance) C4'-P energy: -58.913 bonds (distance) P-C4' energy: -76.920 flat angles C4'-P-C4' energy: -72.702 flat angles P-C4'-P energy: -27.880 tors. eta vs tors. theta energy: -12.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -340.983386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.983386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.983386 (E_RNA) where: Base-Base interactions energy: -122.701 where: short stacking energy: -101.382 Base-Backbone interact. energy: -2.848 local terms energy: -215.433925 where: bonds (distance) C4'-P energy: -61.166 bonds (distance) P-C4' energy: -78.195 flat angles C4'-P-C4' energy: -55.391 flat angles P-C4'-P energy: -29.521 tors. eta vs tors. theta energy: 8.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1349.406894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.406894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.406894 (E_RNA) where: Base-Base interactions energy: -910.727 where: short stacking energy: -408.750 Base-Backbone interact. energy: -3.359 local terms energy: -435.320069 where: bonds (distance) C4'-P energy: -84.145 bonds (distance) P-C4' energy: -85.781 flat angles C4'-P-C4' energy: -81.481 flat angles P-C4'-P energy: -64.047 tors. eta vs tors. theta energy: -119.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1339.674758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.674758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.674758 (E_RNA) where: Base-Base interactions energy: -904.079 where: short stacking energy: -405.788 Base-Backbone interact. energy: -1.133 local terms energy: -434.462062 where: bonds (distance) C4'-P energy: -81.804 bonds (distance) P-C4' energy: -80.642 flat angles C4'-P-C4' energy: -85.931 flat angles P-C4'-P energy: -61.725 tors. eta vs tors. theta energy: -124.360 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: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1222.020436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.020436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.020436 (E_RNA) where: Base-Base interactions energy: -840.928 where: short stacking energy: -374.442 Base-Backbone interact. energy: -0.055 local terms energy: -381.037289 where: bonds (distance) C4'-P energy: -59.121 bonds (distance) P-C4' energy: -65.667 flat angles C4'-P-C4' energy: -83.334 flat angles P-C4'-P energy: -64.238 tors. eta vs tors. theta energy: -108.677 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: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1172.664779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.664779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.664779 (E_RNA) where: Base-Base interactions energy: -781.782 where: short stacking energy: -318.734 Base-Backbone interact. energy: -0.816 local terms energy: -390.066616 where: bonds (distance) C4'-P energy: -73.977 bonds (distance) P-C4' energy: -72.365 flat angles C4'-P-C4' energy: -81.411 flat angles P-C4'-P energy: -65.159 tors. eta vs tors. theta energy: -97.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1145.164333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.164333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.164333 (E_RNA) where: Base-Base interactions energy: -778.842 where: short stacking energy: -341.887 Base-Backbone interact. energy: -2.301 local terms energy: -364.022126 where: bonds (distance) C4'-P energy: -68.507 bonds (distance) P-C4' energy: -75.310 flat angles C4'-P-C4' energy: -80.194 flat angles P-C4'-P energy: -46.862 tors. eta vs tors. theta energy: -93.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -935.415565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.415565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.415565 (E_RNA) where: Base-Base interactions energy: -612.180 where: short stacking energy: -267.815 Base-Backbone interact. energy: 1.700 local terms energy: -324.935818 where: bonds (distance) C4'-P energy: -66.900 bonds (distance) P-C4' energy: -68.426 flat angles C4'-P-C4' energy: -72.198 flat angles P-C4'-P energy: -43.815 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: 7, replica: 8 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -746.209847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.209847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.209847 (E_RNA) where: Base-Base interactions energy: -465.748 where: short stacking energy: -221.825 Base-Backbone interact. energy: -2.044 local terms energy: -278.418073 where: bonds (distance) C4'-P energy: -72.048 bonds (distance) P-C4' energy: -69.544 flat angles C4'-P-C4' energy: -59.470 flat angles P-C4'-P energy: -39.827 tors. eta vs tors. theta energy: -37.529 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: 8, replica: 10 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -598.586616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.586616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.586616 (E_RNA) where: Base-Base interactions energy: -329.913 where: short stacking energy: -178.620 Base-Backbone interact. energy: -0.497 local terms energy: -268.176444 where: bonds (distance) C4'-P energy: -66.518 bonds (distance) P-C4' energy: -67.926 flat angles C4'-P-C4' energy: -67.935 flat angles P-C4'-P energy: -46.107 tors. eta vs tors. theta energy: -19.691 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: 6 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -585.179101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.179101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.179101 (E_RNA) where: Base-Base interactions energy: -341.505 where: short stacking energy: -199.108 Base-Backbone interact. energy: 5.361 local terms energy: -249.034446 where: bonds (distance) C4'-P energy: -56.648 bonds (distance) P-C4' energy: -61.361 flat angles C4'-P-C4' energy: -54.673 flat angles P-C4'-P energy: -46.643 tors. eta vs tors. theta energy: -29.710 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: 5 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -348.009282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.009282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.009282 (E_RNA) where: Base-Base interactions energy: -147.587 where: short stacking energy: -101.899 Base-Backbone interact. energy: -2.052 local terms energy: -198.370827 where: bonds (distance) C4'-P energy: -61.779 bonds (distance) P-C4' energy: -60.902 flat angles C4'-P-C4' energy: -57.998 flat angles P-C4'-P energy: -21.548 tors. eta vs tors. theta energy: 3.856 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: 98 Temperature: 0.900000 Total energy: -1367.876414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.876414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.876414 (E_RNA) where: Base-Base interactions energy: -938.483 where: short stacking energy: -415.402 Base-Backbone interact. energy: -1.611 local terms energy: -427.782004 where: bonds (distance) C4'-P energy: -77.874 bonds (distance) P-C4' energy: -77.716 flat angles C4'-P-C4' energy: -92.948 flat angles P-C4'-P energy: -52.129 tors. eta vs tors. theta energy: -127.114 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: 2 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1341.961882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.961882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.961882 (E_RNA) where: Base-Base interactions energy: -903.052 where: short stacking energy: -395.016 Base-Backbone interact. energy: -3.724 local terms energy: -435.185617 where: bonds (distance) C4'-P energy: -81.289 bonds (distance) P-C4' energy: -74.506 flat angles C4'-P-C4' energy: -92.736 flat angles P-C4'-P energy: -61.946 tors. eta vs tors. theta energy: -124.709 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: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1253.814032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.814032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.814032 (E_RNA) where: Base-Base interactions energy: -842.696 where: short stacking energy: -374.980 Base-Backbone interact. energy: -2.627 local terms energy: -408.490707 where: bonds (distance) C4'-P energy: -72.389 bonds (distance) P-C4' energy: -82.435 flat angles C4'-P-C4' energy: -91.491 flat angles P-C4'-P energy: -55.846 tors. eta vs tors. theta energy: -106.330 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: 4, replica: 4 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1194.548241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.548241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.548241 (E_RNA) where: Base-Base interactions energy: -803.656 where: short stacking energy: -361.973 Base-Backbone interact. energy: 0.635 local terms energy: -391.526799 where: bonds (distance) C4'-P energy: -70.210 bonds (distance) P-C4' energy: -77.915 flat angles C4'-P-C4' energy: -85.102 flat angles P-C4'-P energy: -47.851 tors. eta vs tors. theta energy: -110.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1164.478484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.478484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.478484 (E_RNA) where: Base-Base interactions energy: -807.009 where: short stacking energy: -344.901 Base-Backbone interact. energy: 1.929 local terms energy: -359.399056 where: bonds (distance) C4'-P energy: -69.730 bonds (distance) P-C4' energy: -67.881 flat angles C4'-P-C4' energy: -68.028 flat angles P-C4'-P energy: -54.086 tors. eta vs tors. theta energy: -99.673 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: 98 Temperature: 1.150000 Total energy: -988.178662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.178662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.178662 (E_RNA) where: Base-Base interactions energy: -648.634 where: short stacking energy: -296.517 Base-Backbone interact. energy: -1.464 local terms energy: -338.080876 where: bonds (distance) C4'-P energy: -68.060 bonds (distance) P-C4' energy: -72.028 flat angles C4'-P-C4' energy: -69.587 flat angles P-C4'-P energy: -42.250 tors. eta vs tors. theta energy: -86.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -735.125592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.125592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.125592 (E_RNA) where: Base-Base interactions energy: -443.369 where: short stacking energy: -221.647 Base-Backbone interact. energy: -2.598 local terms energy: -289.158362 where: bonds (distance) C4'-P energy: -67.396 bonds (distance) P-C4' energy: -69.209 flat angles C4'-P-C4' energy: -68.450 flat angles P-C4'-P energy: -42.792 tors. eta vs tors. theta energy: -41.311 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: 10 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -650.386707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.386707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.386707 (E_RNA) where: Base-Base interactions energy: -405.538 where: short stacking energy: -202.799 Base-Backbone interact. energy: 0.126 local terms energy: -244.974951 where: bonds (distance) C4'-P energy: -51.251 bonds (distance) P-C4' energy: -57.347 flat angles C4'-P-C4' energy: -72.258 flat angles P-C4'-P energy: -33.329 tors. eta vs tors. theta energy: -30.791 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: 6 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -593.439064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.439064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.439064 (E_RNA) where: Base-Base interactions energy: -357.211 where: short stacking energy: -168.772 Base-Backbone interact. energy: 1.317 local terms energy: -237.544675 where: bonds (distance) C4'-P energy: -53.527 bonds (distance) P-C4' energy: -61.436 flat angles C4'-P-C4' energy: -62.473 flat angles P-C4'-P energy: -33.249 tors. eta vs tors. theta energy: -26.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -372.027359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.027359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.027359 (E_RNA) where: Base-Base interactions energy: -165.958 where: short stacking energy: -85.926 Base-Backbone interact. energy: -3.786 local terms energy: -202.283125 where: bonds (distance) C4'-P energy: -64.629 bonds (distance) P-C4' energy: -60.883 flat angles C4'-P-C4' energy: -54.850 flat angles P-C4'-P energy: -28.536 tors. eta vs tors. theta energy: 6.614 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: 7 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1354.713940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.713940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.713940 (E_RNA) where: Base-Base interactions energy: -925.407 where: short stacking energy: -422.417 Base-Backbone interact. energy: -0.053 local terms energy: -429.254120 where: bonds (distance) C4'-P energy: -72.509 bonds (distance) P-C4' energy: -81.734 flat angles C4'-P-C4' energy: -84.737 flat angles P-C4'-P energy: -61.062 tors. eta vs tors. theta energy: -129.212 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: 2, replica: 2 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1337.813605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.813605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.813605 (E_RNA) where: Base-Base interactions energy: -918.746 where: short stacking energy: -400.803 Base-Backbone interact. energy: -5.020 local terms energy: -414.047848 where: bonds (distance) C4'-P energy: -70.598 bonds (distance) P-C4' energy: -72.934 flat angles C4'-P-C4' energy: -92.495 flat angles P-C4'-P energy: -58.245 tors. eta vs tors. theta energy: -119.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1246.911870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.911870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.911870 (E_RNA) where: Base-Base interactions energy: -866.434 where: short stacking energy: -389.460 Base-Backbone interact. energy: -1.677 local terms energy: -378.800487 where: bonds (distance) C4'-P energy: -69.592 bonds (distance) P-C4' energy: -73.283 flat angles C4'-P-C4' energy: -82.472 flat angles P-C4'-P energy: -43.007 tors. eta vs tors. theta energy: -110.448 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: 9 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1205.527318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.527318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.527318 (E_RNA) where: Base-Base interactions energy: -828.047 where: short stacking energy: -358.877 Base-Backbone interact. energy: -2.315 local terms energy: -375.164766 where: bonds (distance) C4'-P energy: -68.395 bonds (distance) P-C4' energy: -58.943 flat angles C4'-P-C4' energy: -89.581 flat angles P-C4'-P energy: -51.036 tors. eta vs tors. theta energy: -107.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1159.135826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.135826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.135826 (E_RNA) where: Base-Base interactions energy: -807.818 where: short stacking energy: -341.500 Base-Backbone interact. energy: 0.854 local terms energy: -352.172071 where: bonds (distance) C4'-P energy: -59.137 bonds (distance) P-C4' energy: -75.581 flat angles C4'-P-C4' energy: -73.080 flat angles P-C4'-P energy: -53.817 tors. eta vs tors. theta energy: -90.558 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: 1 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -976.411063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.411063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.411063 (E_RNA) where: Base-Base interactions energy: -628.910 where: short stacking energy: -281.498 Base-Backbone interact. energy: -0.256 local terms energy: -347.245353 where: bonds (distance) C4'-P energy: -57.665 bonds (distance) P-C4' energy: -71.700 flat angles C4'-P-C4' energy: -81.232 flat angles P-C4'-P energy: -58.773 tors. eta vs tors. theta energy: -77.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -851.776764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.776764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.776764 (E_RNA) where: Base-Base interactions energy: -561.092 where: short stacking energy: -250.031 Base-Backbone interact. energy: -1.013 local terms energy: -289.671166 where: bonds (distance) C4'-P energy: -60.495 bonds (distance) P-C4' energy: -71.050 flat angles C4'-P-C4' energy: -74.523 flat angles P-C4'-P energy: -36.170 tors. eta vs tors. theta energy: -47.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -609.591288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.591288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.591288 (E_RNA) where: Base-Base interactions energy: -352.484 where: short stacking energy: -192.515 Base-Backbone interact. energy: -1.495 local terms energy: -255.611965 where: bonds (distance) C4'-P energy: -69.857 bonds (distance) P-C4' energy: -58.923 flat angles C4'-P-C4' energy: -55.453 flat angles P-C4'-P energy: -31.081 tors. eta vs tors. theta energy: -40.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -510.486698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.486698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.486698 (E_RNA) where: Base-Base interactions energy: -288.494 where: short stacking energy: -148.461 Base-Backbone interact. energy: 0.458 local terms energy: -222.450320 where: bonds (distance) C4'-P energy: -57.725 bonds (distance) P-C4' energy: -57.558 flat angles C4'-P-C4' energy: -66.700 flat angles P-C4'-P energy: -36.670 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: 10, replica: 5 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -316.200593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.200593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.200593 (E_RNA) where: Base-Base interactions energy: -119.620 where: short stacking energy: -101.802 Base-Backbone interact. energy: -0.542 local terms energy: -196.038692 where: bonds (distance) C4'-P energy: -60.416 bonds (distance) P-C4' energy: -59.414 flat angles C4'-P-C4' energy: -60.565 flat angles P-C4'-P energy: -23.181 tors. eta vs tors. theta energy: 7.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1376.348443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.348443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.348443 (E_RNA) where: Base-Base interactions energy: -929.481 where: short stacking energy: -417.817 Base-Backbone interact. energy: -2.126 local terms energy: -444.740938 where: bonds (distance) C4'-P energy: -86.410 bonds (distance) P-C4' energy: -80.952 flat angles C4'-P-C4' energy: -92.000 flat angles P-C4'-P energy: -60.081 tors. eta vs tors. theta energy: -125.298 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: 7 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1321.463974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.463974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.463974 (E_RNA) where: Base-Base interactions energy: -903.442 where: short stacking energy: -401.764 Base-Backbone interact. energy: -3.058 local terms energy: -414.963522 where: bonds (distance) C4'-P energy: -74.982 bonds (distance) P-C4' energy: -76.683 flat angles C4'-P-C4' energy: -93.580 flat angles P-C4'-P energy: -50.602 tors. eta vs tors. theta energy: -119.116 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: 3 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1257.827673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.827673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.827673 (E_RNA) where: Base-Base interactions energy: -858.133 where: short stacking energy: -378.686 Base-Backbone interact. energy: -1.442 local terms energy: -398.253092 where: bonds (distance) C4'-P energy: -79.565 bonds (distance) P-C4' energy: -71.601 flat angles C4'-P-C4' energy: -79.250 flat angles P-C4'-P energy: -57.488 tors. eta vs tors. theta energy: -110.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1207.232845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.232845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.232845 (E_RNA) where: Base-Base interactions energy: -803.991 where: short stacking energy: -369.011 Base-Backbone interact. energy: -1.132 local terms energy: -402.109810 where: bonds (distance) C4'-P energy: -82.599 bonds (distance) P-C4' energy: -66.260 flat angles C4'-P-C4' energy: -84.071 flat angles P-C4'-P energy: -57.482 tors. eta vs tors. theta energy: -111.697 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: 5, replica: 4 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1148.343161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.343161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.343161 (E_RNA) where: Base-Base interactions energy: -777.253 where: short stacking energy: -331.629 Base-Backbone interact. energy: -1.056 local terms energy: -370.034612 where: bonds (distance) C4'-P energy: -67.838 bonds (distance) P-C4' energy: -81.103 flat angles C4'-P-C4' energy: -85.773 flat angles P-C4'-P energy: -40.606 tors. eta vs tors. theta energy: -94.714 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: 100 Temperature: 1.150000 Total energy: -998.159676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.159676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.159676 (E_RNA) where: Base-Base interactions energy: -638.161 where: short stacking energy: -288.288 Base-Backbone interact. energy: -2.471 local terms energy: -357.527511 where: bonds (distance) C4'-P energy: -81.133 bonds (distance) P-C4' energy: -79.395 flat angles C4'-P-C4' energy: -76.913 flat angles P-C4'-P energy: -38.716 tors. eta vs tors. theta energy: -81.371 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: 100 Temperature: 1.200000 Total energy: -812.940574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.940574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.940574 (E_RNA) where: Base-Base interactions energy: -505.648 where: short stacking energy: -238.810 Base-Backbone interact. energy: -2.705 local terms energy: -304.587443 where: bonds (distance) C4'-P energy: -66.704 bonds (distance) P-C4' energy: -80.587 flat angles C4'-P-C4' energy: -59.405 flat angles P-C4'-P energy: -37.880 tors. eta vs tors. theta energy: -60.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -584.249534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.249534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.249534 (E_RNA) where: Base-Base interactions energy: -334.303 where: short stacking energy: -192.114 Base-Backbone interact. energy: -2.028 local terms energy: -247.918053 where: bonds (distance) C4'-P energy: -42.838 bonds (distance) P-C4' energy: -72.563 flat angles C4'-P-C4' energy: -59.316 flat angles P-C4'-P energy: -44.881 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: 10 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -518.623895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.623895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.623895 (E_RNA) where: Base-Base interactions energy: -281.885 where: short stacking energy: -152.713 Base-Backbone interact. energy: -1.082 local terms energy: -235.657022 where: bonds (distance) C4'-P energy: -59.432 bonds (distance) P-C4' energy: -70.168 flat angles C4'-P-C4' energy: -63.836 flat angles P-C4'-P energy: -25.632 tors. eta vs tors. theta energy: -16.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -322.433200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.433200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.433200 (E_RNA) where: Base-Base interactions energy: -114.878 where: short stacking energy: -105.101 Base-Backbone interact. energy: 0.225 local terms energy: -207.780056 where: bonds (distance) C4'-P energy: -67.621 bonds (distance) P-C4' energy: -58.616 flat angles C4'-P-C4' energy: -55.295 flat angles P-C4'-P energy: -32.660 tors. eta vs tors. theta energy: 6.411 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: 1, replica: 2 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1369.719227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.719227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.719227 (E_RNA) where: Base-Base interactions energy: -945.269 where: short stacking energy: -414.875 Base-Backbone interact. energy: -0.641 local terms energy: -423.809609 where: bonds (distance) C4'-P energy: -72.114 bonds (distance) P-C4' energy: -74.514 flat angles C4'-P-C4' energy: -86.704 flat angles P-C4'-P energy: -65.028 tors. eta vs tors. theta energy: -125.450 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: 7 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1340.327793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.327793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.327793 (E_RNA) where: Base-Base interactions energy: -909.032 where: short stacking energy: -396.979 Base-Backbone interact. energy: -1.790 local terms energy: -429.506429 where: bonds (distance) C4'-P energy: -83.425 bonds (distance) P-C4' energy: -86.403 flat angles C4'-P-C4' energy: -90.701 flat angles P-C4'-P energy: -43.871 tors. eta vs tors. theta energy: -125.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1275.660833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.660833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.660833 (E_RNA) where: Base-Base interactions energy: -877.660 where: short stacking energy: -391.062 Base-Backbone interact. energy: -0.941 local terms energy: -397.060096 where: bonds (distance) C4'-P energy: -80.710 bonds (distance) P-C4' energy: -73.743 flat angles C4'-P-C4' energy: -74.349 flat angles P-C4'-P energy: -58.546 tors. eta vs tors. theta energy: -109.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1194.843772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.843772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.843772 (E_RNA) where: Base-Base interactions energy: -795.413 where: short stacking energy: -352.565 Base-Backbone interact. energy: -0.934 local terms energy: -398.496911 where: bonds (distance) C4'-P energy: -73.124 bonds (distance) P-C4' energy: -77.165 flat angles C4'-P-C4' energy: -89.917 flat angles P-C4'-P energy: -49.970 tors. eta vs tors. theta energy: -108.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1154.764518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.764518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.764518 (E_RNA) where: Base-Base interactions energy: -812.251 where: short stacking energy: -339.605 Base-Backbone interact. energy: -0.277 local terms energy: -342.236609 where: bonds (distance) C4'-P energy: -68.883 bonds (distance) P-C4' energy: -50.863 flat angles C4'-P-C4' energy: -74.639 flat angles P-C4'-P energy: -51.131 tors. eta vs tors. theta energy: -96.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -917.424727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.424727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.424727 (E_RNA) where: Base-Base interactions energy: -581.537 where: short stacking energy: -276.718 Base-Backbone interact. energy: -1.709 local terms energy: -334.178376 where: bonds (distance) C4'-P energy: -72.596 bonds (distance) P-C4' energy: -72.649 flat angles C4'-P-C4' energy: -72.705 flat angles P-C4'-P energy: -40.234 tors. eta vs tors. theta energy: -75.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -767.261986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.261986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.261986 (E_RNA) where: Base-Base interactions energy: -488.512 where: short stacking energy: -226.491 Base-Backbone interact. energy: 4.705 local terms energy: -283.455223 where: bonds (distance) C4'-P energy: -61.000 bonds (distance) P-C4' energy: -59.224 flat angles C4'-P-C4' energy: -66.629 flat angles P-C4'-P energy: -49.308 tors. eta vs tors. theta energy: -47.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -541.799462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.799462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.799462 (E_RNA) where: Base-Base interactions energy: -306.637 where: short stacking energy: -146.748 Base-Backbone interact. energy: -3.125 local terms energy: -232.037136 where: bonds (distance) C4'-P energy: -42.871 bonds (distance) P-C4' energy: -68.424 flat angles C4'-P-C4' energy: -64.328 flat angles P-C4'-P energy: -49.411 tors. eta vs tors. theta energy: -7.004 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: 9, replica: 10 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -525.241269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.241269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.241269 (E_RNA) where: Base-Base interactions energy: -275.507 where: short stacking energy: -132.372 Base-Backbone interact. energy: -0.396 local terms energy: -249.337620 where: bonds (distance) C4'-P energy: -69.874 bonds (distance) P-C4' energy: -66.059 flat angles C4'-P-C4' energy: -71.535 flat angles P-C4'-P energy: -38.004 tors. eta vs tors. theta energy: -3.866 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: 5 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -396.098421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.098421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.098421 (E_RNA) where: Base-Base interactions energy: -181.840 where: short stacking energy: -115.559 Base-Backbone interact. energy: -1.709 local terms energy: -212.549664 where: bonds (distance) C4'-P energy: -60.328 bonds (distance) P-C4' energy: -55.520 flat angles C4'-P-C4' energy: -58.919 flat angles P-C4'-P energy: -38.540 tors. eta vs tors. theta energy: 0.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1393.049992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.049992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.049992 (E_RNA) where: Base-Base interactions energy: -953.646 where: short stacking energy: -415.166 Base-Backbone interact. energy: -3.983 local terms energy: -435.420957 where: bonds (distance) C4'-P energy: -81.245 bonds (distance) P-C4' energy: -73.563 flat angles C4'-P-C4' energy: -95.069 flat angles P-C4'-P energy: -64.418 tors. eta vs tors. theta energy: -121.127 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: 7 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1321.193132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.193132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.193132 (E_RNA) where: Base-Base interactions energy: -908.978 where: short stacking energy: -406.637 Base-Backbone interact. energy: -2.058 local terms energy: -410.157561 where: bonds (distance) C4'-P energy: -76.614 bonds (distance) P-C4' energy: -69.698 flat angles C4'-P-C4' energy: -85.132 flat angles P-C4'-P energy: -59.107 tors. eta vs tors. theta energy: -119.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1273.911435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.911435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.911435 (E_RNA) where: Base-Base interactions energy: -883.475 where: short stacking energy: -378.556 Base-Backbone interact. energy: -0.177 local terms energy: -390.259006 where: bonds (distance) C4'-P energy: -65.905 bonds (distance) P-C4' energy: -84.706 flat angles C4'-P-C4' energy: -86.040 flat angles P-C4'-P energy: -51.304 tors. eta vs tors. theta energy: -102.306 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: 102 Temperature: 1.050000 Total energy: -1195.166619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.166619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.166619 (E_RNA) where: Base-Base interactions energy: -814.627 where: short stacking energy: -343.653 Base-Backbone interact. energy: -1.239 local terms energy: -379.301078 where: bonds (distance) C4'-P energy: -69.512 bonds (distance) P-C4' energy: -77.510 flat angles C4'-P-C4' energy: -79.799 flat angles P-C4'-P energy: -51.067 tors. eta vs tors. theta energy: -101.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1104.893349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.893349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.893349 (E_RNA) where: Base-Base interactions energy: -754.999 where: short stacking energy: -323.262 Base-Backbone interact. energy: -0.724 local terms energy: -349.169423 where: bonds (distance) C4'-P energy: -61.346 bonds (distance) P-C4' energy: -73.654 flat angles C4'-P-C4' energy: -76.466 flat angles P-C4'-P energy: -50.777 tors. eta vs tors. theta energy: -86.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -930.287990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.287990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.287990 (E_RNA) where: Base-Base interactions energy: -615.655 where: short stacking energy: -287.808 Base-Backbone interact. energy: 1.470 local terms energy: -316.102440 where: bonds (distance) C4'-P energy: -65.840 bonds (distance) P-C4' energy: -58.276 flat angles C4'-P-C4' energy: -72.543 flat angles P-C4'-P energy: -47.968 tors. eta vs tors. theta energy: -71.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -790.803091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.803091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.803091 (E_RNA) where: Base-Base interactions energy: -528.383 where: short stacking energy: -232.385 Base-Backbone interact. energy: -3.138 local terms energy: -259.282421 where: bonds (distance) C4'-P energy: -64.258 bonds (distance) P-C4' energy: -61.750 flat angles C4'-P-C4' energy: -52.220 flat angles P-C4'-P energy: -39.652 tors. eta vs tors. theta energy: -41.402 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: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -651.619051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.619051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.619051 (E_RNA) where: Base-Base interactions energy: -396.226 where: short stacking energy: -211.992 Base-Backbone interact. energy: -1.628 local terms energy: -253.764951 where: bonds (distance) C4'-P energy: -58.456 bonds (distance) P-C4' energy: -65.373 flat angles C4'-P-C4' energy: -63.974 flat angles P-C4'-P energy: -35.667 tors. eta vs tors. theta energy: -30.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -477.234451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.234451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.234451 (E_RNA) where: Base-Base interactions energy: -225.712 where: short stacking energy: -138.827 Base-Backbone interact. energy: 6.439 local terms energy: -257.961715 where: bonds (distance) C4'-P energy: -75.637 bonds (distance) P-C4' energy: -76.902 flat angles C4'-P-C4' energy: -51.959 flat angles P-C4'-P energy: -36.013 tors. eta vs tors. theta energy: -17.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -408.325317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.325317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.325317 (E_RNA) where: Base-Base interactions energy: -191.195 where: short stacking energy: -98.163 Base-Backbone interact. energy: -0.825 local terms energy: -216.305449 where: bonds (distance) C4'-P energy: -65.939 bonds (distance) P-C4' energy: -64.187 flat angles C4'-P-C4' energy: -69.139 flat angles P-C4'-P energy: -32.165 tors. eta vs tors. theta energy: 15.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1331.715257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.715257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.715257 (E_RNA) where: Base-Base interactions energy: -920.441 where: short stacking energy: -411.325 Base-Backbone interact. energy: 0.365 local terms energy: -411.638461 where: bonds (distance) C4'-P energy: -74.661 bonds (distance) P-C4' energy: -72.865 flat angles C4'-P-C4' energy: -86.246 flat angles P-C4'-P energy: -58.298 tors. eta vs tors. theta energy: -119.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1338.884011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.884011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.884011 (E_RNA) where: Base-Base interactions energy: -921.784 where: short stacking energy: -411.668 Base-Backbone interact. energy: 0.185 local terms energy: -417.284671 where: bonds (distance) C4'-P energy: -75.249 bonds (distance) P-C4' energy: -87.608 flat angles C4'-P-C4' energy: -84.178 flat angles P-C4'-P energy: -51.798 tors. eta vs tors. theta energy: -118.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1280.143494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.143494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.143494 (E_RNA) where: Base-Base interactions energy: -895.236 where: short stacking energy: -406.729 Base-Backbone interact. energy: -2.961 local terms energy: -381.946775 where: bonds (distance) C4'-P energy: -68.116 bonds (distance) P-C4' energy: -67.786 flat angles C4'-P-C4' energy: -78.267 flat angles P-C4'-P energy: -57.648 tors. eta vs tors. theta energy: -110.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1191.185717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.185717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.185717 (E_RNA) where: Base-Base interactions energy: -830.233 where: short stacking energy: -362.552 Base-Backbone interact. energy: -1.242 local terms energy: -359.710195 where: bonds (distance) C4'-P energy: -59.420 bonds (distance) P-C4' energy: -67.606 flat angles C4'-P-C4' energy: -77.313 flat angles P-C4'-P energy: -46.269 tors. eta vs tors. theta energy: -109.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1149.624766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.624766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.624766 (E_RNA) where: Base-Base interactions energy: -798.989 where: short stacking energy: -336.004 Base-Backbone interact. energy: -1.746 local terms energy: -348.890109 where: bonds (distance) C4'-P energy: -59.726 bonds (distance) P-C4' energy: -71.662 flat angles C4'-P-C4' energy: -71.132 flat angles P-C4'-P energy: -49.307 tors. eta vs tors. theta energy: -97.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -931.632523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.632523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.632523 (E_RNA) where: Base-Base interactions energy: -584.582 where: short stacking energy: -275.971 Base-Backbone interact. energy: -0.649 local terms energy: -346.401851 where: bonds (distance) C4'-P energy: -62.987 bonds (distance) P-C4' energy: -76.027 flat angles C4'-P-C4' energy: -76.620 flat angles P-C4'-P energy: -49.433 tors. eta vs tors. theta energy: -81.335 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: 8 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -825.217676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.217676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.217676 (E_RNA) where: Base-Base interactions energy: -537.997 where: short stacking energy: -238.725 Base-Backbone interact. energy: -2.071 local terms energy: -285.149054 where: bonds (distance) C4'-P energy: -63.036 bonds (distance) P-C4' energy: -76.434 flat angles C4'-P-C4' energy: -65.307 flat angles P-C4'-P energy: -31.110 tors. eta vs tors. theta energy: -49.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -665.636322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.636322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.636322 (E_RNA) where: Base-Base interactions energy: -410.795 where: short stacking energy: -223.983 Base-Backbone interact. energy: -0.981 local terms energy: -253.859806 where: bonds (distance) C4'-P energy: -59.543 bonds (distance) P-C4' energy: -63.548 flat angles C4'-P-C4' energy: -56.812 flat angles P-C4'-P energy: -32.525 tors. eta vs tors. theta energy: -41.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -578.512010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.512010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.512010 (E_RNA) where: Base-Base interactions energy: -305.271 where: short stacking energy: -176.223 Base-Backbone interact. energy: -1.488 local terms energy: -271.752805 where: bonds (distance) C4'-P energy: -74.431 bonds (distance) P-C4' energy: -54.141 flat angles C4'-P-C4' energy: -65.996 flat angles P-C4'-P energy: -52.080 tors. eta vs tors. theta energy: -25.104 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: 5 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -391.949708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.949708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.949708 (E_RNA) where: Base-Base interactions energy: -173.558 where: short stacking energy: -109.860 Base-Backbone interact. energy: -1.677 local terms energy: -216.714910 where: bonds (distance) C4'-P energy: -62.914 bonds (distance) P-C4' energy: -63.197 flat angles C4'-P-C4' energy: -60.578 flat angles P-C4'-P energy: -44.038 tors. eta vs tors. theta energy: 14.013 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: 7 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1355.830683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.830683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.830683 (E_RNA) where: Base-Base interactions energy: -927.391 where: short stacking energy: -427.951 Base-Backbone interact. energy: -0.282 local terms energy: -428.157515 where: bonds (distance) C4'-P energy: -76.062 bonds (distance) P-C4' energy: -77.285 flat angles C4'-P-C4' energy: -87.514 flat angles P-C4'-P energy: -61.375 tors. eta vs tors. theta energy: -125.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1336.333315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.333315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.333315 (E_RNA) where: Base-Base interactions energy: -915.595 where: short stacking energy: -392.745 Base-Backbone interact. energy: -1.702 local terms energy: -419.036592 where: bonds (distance) C4'-P energy: -77.750 bonds (distance) P-C4' energy: -68.800 flat angles C4'-P-C4' energy: -89.277 flat angles P-C4'-P energy: -63.103 tors. eta vs tors. theta energy: -120.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1301.883442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.883442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.883442 (E_RNA) where: Base-Base interactions energy: -916.102 where: short stacking energy: -395.392 Base-Backbone interact. energy: -0.697 local terms energy: -385.084453 where: bonds (distance) C4'-P energy: -65.807 bonds (distance) P-C4' energy: -69.313 flat angles C4'-P-C4' energy: -87.686 flat angles P-C4'-P energy: -59.333 tors. eta vs tors. theta energy: -102.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1221.083557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.083557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.083557 (E_RNA) where: Base-Base interactions energy: -843.448 where: short stacking energy: -364.144 Base-Backbone interact. energy: -0.179 local terms energy: -377.456968 where: bonds (distance) C4'-P energy: -73.898 bonds (distance) P-C4' energy: -68.963 flat angles C4'-P-C4' energy: -83.888 flat angles P-C4'-P energy: -49.611 tors. eta vs tors. theta energy: -101.097 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: 4 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1158.743726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.743726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.743726 (E_RNA) where: Base-Base interactions energy: -789.618 where: short stacking energy: -332.905 Base-Backbone interact. energy: -2.681 local terms energy: -366.444250 where: bonds (distance) C4'-P energy: -69.990 bonds (distance) P-C4' energy: -70.611 flat angles C4'-P-C4' energy: -72.264 flat angles P-C4'-P energy: -57.627 tors. eta vs tors. theta energy: -95.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -911.083261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.083261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.083261 (E_RNA) where: Base-Base interactions energy: -587.046 where: short stacking energy: -301.351 Base-Backbone interact. energy: 2.152 local terms energy: -326.189475 where: bonds (distance) C4'-P energy: -54.544 bonds (distance) P-C4' energy: -81.833 flat angles C4'-P-C4' energy: -72.302 flat angles P-C4'-P energy: -45.052 tors. eta vs tors. theta energy: -72.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -781.967926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.967926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.967926 (E_RNA) where: Base-Base interactions energy: -487.039 where: short stacking energy: -223.209 Base-Backbone interact. energy: 0.026 local terms energy: -294.954991 where: bonds (distance) C4'-P energy: -76.181 bonds (distance) P-C4' energy: -69.731 flat angles C4'-P-C4' energy: -66.961 flat angles P-C4'-P energy: -43.049 tors. eta vs tors. theta energy: -39.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -634.733475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.733475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.733475 (E_RNA) where: Base-Base interactions energy: -374.820 where: short stacking energy: -197.298 Base-Backbone interact. energy: -1.749 local terms energy: -258.164024 where: bonds (distance) C4'-P energy: -47.879 bonds (distance) P-C4' energy: -76.867 flat angles C4'-P-C4' energy: -68.695 flat angles P-C4'-P energy: -30.998 tors. eta vs tors. theta energy: -33.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -550.471995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.471995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.471995 (E_RNA) where: Base-Base interactions energy: -307.923 where: short stacking energy: -143.545 Base-Backbone interact. energy: -0.774 local terms energy: -241.775568 where: bonds (distance) C4'-P energy: -67.920 bonds (distance) P-C4' energy: -74.040 flat angles C4'-P-C4' energy: -61.880 flat angles P-C4'-P energy: -36.713 tors. eta vs tors. theta energy: -1.223 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: 5 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -339.419316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.419316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.419316 (E_RNA) where: Base-Base interactions energy: -107.120 where: short stacking energy: -89.602 Base-Backbone interact. energy: 2.372 local terms energy: -234.671216 where: bonds (distance) C4'-P energy: -79.314 bonds (distance) P-C4' energy: -69.953 flat angles C4'-P-C4' energy: -49.935 flat angles P-C4'-P energy: -36.090 tors. eta vs tors. theta energy: 0.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1363.082791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.082791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.082791 (E_RNA) where: Base-Base interactions energy: -944.856 where: short stacking energy: -426.789 Base-Backbone interact. energy: -2.295 local terms energy: -415.932045 where: bonds (distance) C4'-P energy: -75.250 bonds (distance) P-C4' energy: -75.980 flat angles C4'-P-C4' energy: -83.259 flat angles P-C4'-P energy: -57.892 tors. eta vs tors. theta energy: -123.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1346.462980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.462980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.462980 (E_RNA) where: Base-Base interactions energy: -926.262 where: short stacking energy: -415.084 Base-Backbone interact. energy: -1.950 local terms energy: -418.250663 where: bonds (distance) C4'-P energy: -79.374 bonds (distance) P-C4' energy: -67.129 flat angles C4'-P-C4' energy: -84.893 flat angles P-C4'-P energy: -63.573 tors. eta vs tors. theta energy: -123.281 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: 3 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1277.554442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.554442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.554442 (E_RNA) where: Base-Base interactions energy: -881.365 where: short stacking energy: -377.869 Base-Backbone interact. energy: -0.122 local terms energy: -396.067685 where: bonds (distance) C4'-P energy: -75.212 bonds (distance) P-C4' energy: -70.045 flat angles C4'-P-C4' energy: -87.385 flat angles P-C4'-P energy: -56.321 tors. eta vs tors. theta energy: -107.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1201.011323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.011323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.011323 (E_RNA) where: Base-Base interactions energy: -806.644 where: short stacking energy: -368.910 Base-Backbone interact. energy: -1.182 local terms energy: -393.185418 where: bonds (distance) C4'-P energy: -72.543 bonds (distance) P-C4' energy: -65.035 flat angles C4'-P-C4' energy: -86.653 flat angles P-C4'-P energy: -60.771 tors. eta vs tors. theta energy: -108.184 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: 9 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1152.238680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.238680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.238680 (E_RNA) where: Base-Base interactions energy: -783.683 where: short stacking energy: -345.364 Base-Backbone interact. energy: -2.765 local terms energy: -365.790137 where: bonds (distance) C4'-P energy: -81.856 bonds (distance) P-C4' energy: -67.549 flat angles C4'-P-C4' energy: -84.780 flat angles P-C4'-P energy: -33.552 tors. eta vs tors. theta energy: -98.053 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: 6, replica: 1 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -926.177401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.177401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.177401 (E_RNA) where: Base-Base interactions energy: -603.242 where: short stacking energy: -265.836 Base-Backbone interact. energy: -2.375 local terms energy: -320.560400 where: bonds (distance) C4'-P energy: -70.545 bonds (distance) P-C4' energy: -81.354 flat angles C4'-P-C4' energy: -69.619 flat angles P-C4'-P energy: -49.600 tors. eta vs tors. theta energy: -49.442 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: 105 Temperature: 1.200000 Total energy: -795.385262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.385262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.385262 (E_RNA) where: Base-Base interactions energy: -497.732 where: short stacking energy: -210.730 Base-Backbone interact. energy: -1.310 local terms energy: -296.342880 where: bonds (distance) C4'-P energy: -66.690 bonds (distance) P-C4' energy: -64.046 flat angles C4'-P-C4' energy: -74.830 flat angles P-C4'-P energy: -48.707 tors. eta vs tors. theta energy: -42.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -684.311602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.311602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.311602 (E_RNA) where: Base-Base interactions energy: -391.841 where: short stacking energy: -220.424 Base-Backbone interact. energy: 3.095 local terms energy: -295.565294 where: bonds (distance) C4'-P energy: -69.670 bonds (distance) P-C4' energy: -80.456 flat angles C4'-P-C4' energy: -72.764 flat angles P-C4'-P energy: -27.717 tors. eta vs tors. theta energy: -44.959 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: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -614.670860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.670860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.670860 (E_RNA) where: Base-Base interactions energy: -351.773 where: short stacking energy: -173.109 Base-Backbone interact. energy: -0.955 local terms energy: -261.942614 where: bonds (distance) C4'-P energy: -65.950 bonds (distance) P-C4' energy: -64.124 flat angles C4'-P-C4' energy: -64.075 flat angles P-C4'-P energy: -45.196 tors. eta vs tors. theta energy: -22.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -307.903607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.903607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.903607 (E_RNA) where: Base-Base interactions energy: -102.525 where: short stacking energy: -85.312 Base-Backbone interact. energy: -1.755 local terms energy: -203.623390 where: bonds (distance) C4'-P energy: -60.264 bonds (distance) P-C4' energy: -59.348 flat angles C4'-P-C4' energy: -61.275 flat angles P-C4'-P energy: -40.105 tors. eta vs tors. theta energy: 17.368 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: 7 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1378.679852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.679852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.679852 (E_RNA) where: Base-Base interactions energy: -941.980 where: short stacking energy: -427.067 Base-Backbone interact. energy: -2.221 local terms energy: -434.478801 where: bonds (distance) C4'-P energy: -77.242 bonds (distance) P-C4' energy: -78.302 flat angles C4'-P-C4' energy: -90.961 flat angles P-C4'-P energy: -60.860 tors. eta vs tors. theta energy: -127.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1340.278271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.278271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.278271 (E_RNA) where: Base-Base interactions energy: -915.734 where: short stacking energy: -388.411 Base-Backbone interact. energy: 0.207 local terms energy: -424.751603 where: bonds (distance) C4'-P energy: -70.331 bonds (distance) P-C4' energy: -80.345 flat angles C4'-P-C4' energy: -94.342 flat angles P-C4'-P energy: -59.381 tors. eta vs tors. theta energy: -120.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1301.021374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.021374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.021374 (E_RNA) where: Base-Base interactions energy: -898.653 where: short stacking energy: -382.154 Base-Backbone interact. energy: 1.306 local terms energy: -403.674782 where: bonds (distance) C4'-P energy: -74.805 bonds (distance) P-C4' energy: -74.896 flat angles C4'-P-C4' energy: -83.768 flat angles P-C4'-P energy: -61.093 tors. eta vs tors. theta energy: -109.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1189.339212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.339212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.339212 (E_RNA) where: Base-Base interactions energy: -807.398 where: short stacking energy: -338.012 Base-Backbone interact. energy: -0.009 local terms energy: -381.932992 where: bonds (distance) C4'-P energy: -72.711 bonds (distance) P-C4' energy: -67.880 flat angles C4'-P-C4' energy: -91.553 flat angles P-C4'-P energy: -45.682 tors. eta vs tors. theta energy: -104.107 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: 9 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1118.370357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.370357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.370357 (E_RNA) where: Base-Base interactions energy: -760.777 where: short stacking energy: -330.477 Base-Backbone interact. energy: -2.300 local terms energy: -355.293748 where: bonds (distance) C4'-P energy: -63.667 bonds (distance) P-C4' energy: -67.629 flat angles C4'-P-C4' energy: -84.976 flat angles P-C4'-P energy: -54.941 tors. eta vs tors. theta energy: -84.080 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: 1 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -970.167038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.167038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.167038 (E_RNA) where: Base-Base interactions energy: -617.729 where: short stacking energy: -278.720 Base-Backbone interact. energy: 0.556 local terms energy: -352.994079 where: bonds (distance) C4'-P energy: -74.019 bonds (distance) P-C4' energy: -80.324 flat angles C4'-P-C4' energy: -82.979 flat angles P-C4'-P energy: -50.420 tors. eta vs tors. theta energy: -65.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -772.586794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.586794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.586794 (E_RNA) where: Base-Base interactions energy: -483.711 where: short stacking energy: -224.424 Base-Backbone interact. energy: 0.226 local terms energy: -289.101746 where: bonds (distance) C4'-P energy: -69.392 bonds (distance) P-C4' energy: -71.413 flat angles C4'-P-C4' energy: -66.880 flat angles P-C4'-P energy: -31.467 tors. eta vs tors. theta energy: -49.951 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: 8, replica: 6 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -647.572650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.572650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.572650 (E_RNA) where: Base-Base interactions energy: -359.289 where: short stacking energy: -192.258 Base-Backbone interact. energy: -0.398 local terms energy: -287.885251 where: bonds (distance) C4'-P energy: -73.653 bonds (distance) P-C4' energy: -65.339 flat angles C4'-P-C4' energy: -70.883 flat angles P-C4'-P energy: -53.570 tors. eta vs tors. theta energy: -24.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -624.720256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.720256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.720256 (E_RNA) where: Base-Base interactions energy: -361.143 where: short stacking energy: -172.793 Base-Backbone interact. energy: 0.912 local terms energy: -264.489111 where: bonds (distance) C4'-P energy: -72.544 bonds (distance) P-C4' energy: -67.973 flat angles C4'-P-C4' energy: -60.001 flat angles P-C4'-P energy: -51.910 tors. eta vs tors. theta energy: -12.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -328.374886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.374886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.374886 (E_RNA) where: Base-Base interactions energy: -114.078 where: short stacking energy: -97.024 Base-Backbone interact. energy: 5.074 local terms energy: -219.371327 where: bonds (distance) C4'-P energy: -61.431 bonds (distance) P-C4' energy: -67.149 flat angles C4'-P-C4' energy: -57.159 flat angles P-C4'-P energy: -37.547 tors. eta vs tors. theta energy: 3.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1358.038932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.038932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.038932 (E_RNA) where: Base-Base interactions energy: -925.525 where: short stacking energy: -426.778 Base-Backbone interact. energy: -1.934 local terms energy: -430.579564 where: bonds (distance) C4'-P energy: -75.879 bonds (distance) P-C4' energy: -84.439 flat angles C4'-P-C4' energy: -88.698 flat angles P-C4'-P energy: -57.944 tors. eta vs tors. theta energy: -123.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1322.996325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.996325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.996325 (E_RNA) where: Base-Base interactions energy: -930.400 where: short stacking energy: -400.724 Base-Backbone interact. energy: 1.165 local terms energy: -393.761440 where: bonds (distance) C4'-P energy: -65.443 bonds (distance) P-C4' energy: -67.753 flat angles C4'-P-C4' energy: -83.369 flat angles P-C4'-P energy: -53.443 tors. eta vs tors. theta energy: -123.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1298.734156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.734156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.734156 (E_RNA) where: Base-Base interactions energy: -881.442 where: short stacking energy: -370.032 Base-Backbone interact. energy: -1.408 local terms energy: -415.883817 where: bonds (distance) C4'-P energy: -79.435 bonds (distance) P-C4' energy: -82.810 flat angles C4'-P-C4' energy: -83.628 flat angles P-C4'-P energy: -57.346 tors. eta vs tors. theta energy: -112.666 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: 9 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1157.111010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.111010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.111010 (E_RNA) where: Base-Base interactions energy: -778.347 where: short stacking energy: -357.003 Base-Backbone interact. energy: -1.249 local terms energy: -377.514865 where: bonds (distance) C4'-P energy: -65.556 bonds (distance) P-C4' energy: -79.067 flat angles C4'-P-C4' energy: -86.677 flat angles P-C4'-P energy: -54.911 tors. eta vs tors. theta energy: -91.304 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: 4 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1169.923834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.923834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.923834 (E_RNA) where: Base-Base interactions energy: -806.481 where: short stacking energy: -339.973 Base-Backbone interact. energy: 0.866 local terms energy: -364.308838 where: bonds (distance) C4'-P energy: -62.677 bonds (distance) P-C4' energy: -71.253 flat angles C4'-P-C4' energy: -74.508 flat angles P-C4'-P energy: -59.085 tors. eta vs tors. theta energy: -96.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -972.848119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.848119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.848119 (E_RNA) where: Base-Base interactions energy: -633.791 where: short stacking energy: -311.414 Base-Backbone interact. energy: -2.709 local terms energy: -336.347684 where: bonds (distance) C4'-P energy: -72.389 bonds (distance) P-C4' energy: -73.405 flat angles C4'-P-C4' energy: -72.817 flat angles P-C4'-P energy: -42.570 tors. eta vs tors. theta energy: -75.167 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: 7, replica: 8 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -728.252910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.252910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.252910 (E_RNA) where: Base-Base interactions energy: -454.025 where: short stacking energy: -214.904 Base-Backbone interact. energy: -0.260 local terms energy: -273.968148 where: bonds (distance) C4'-P energy: -69.586 bonds (distance) P-C4' energy: -62.890 flat angles C4'-P-C4' energy: -74.073 flat angles P-C4'-P energy: -34.226 tors. eta vs tors. theta energy: -33.193 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: 6 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -646.425416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.425416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.425416 (E_RNA) where: Base-Base interactions energy: -383.809 where: short stacking energy: -174.923 Base-Backbone interact. energy: -0.981 local terms energy: -261.635687 where: bonds (distance) C4'-P energy: -63.948 bonds (distance) P-C4' energy: -64.787 flat angles C4'-P-C4' energy: -71.097 flat angles P-C4'-P energy: -40.494 tors. eta vs tors. theta energy: -21.310 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: 10 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -590.428616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.428616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.428616 (E_RNA) where: Base-Base interactions energy: -335.377 where: short stacking energy: -160.970 Base-Backbone interact. energy: -0.930 local terms energy: -254.122451 where: bonds (distance) C4'-P energy: -63.702 bonds (distance) P-C4' energy: -74.270 flat angles C4'-P-C4' energy: -51.354 flat angles P-C4'-P energy: -32.087 tors. eta vs tors. theta energy: -32.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -352.442057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.442057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.442057 (E_RNA) where: Base-Base interactions energy: -147.172 where: short stacking energy: -106.710 Base-Backbone interact. energy: -1.469 local terms energy: -203.801225 where: bonds (distance) C4'-P energy: -60.023 bonds (distance) P-C4' energy: -56.410 flat angles C4'-P-C4' energy: -58.795 flat angles P-C4'-P energy: -19.480 tors. eta vs tors. theta energy: -9.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1368.253337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.253337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.253337 (E_RNA) where: Base-Base interactions energy: -931.330 where: short stacking energy: -418.112 Base-Backbone interact. energy: -1.598 local terms energy: -435.325346 where: bonds (distance) C4'-P energy: -71.305 bonds (distance) P-C4' energy: -86.179 flat angles C4'-P-C4' energy: -90.140 flat angles P-C4'-P energy: -65.490 tors. eta vs tors. theta energy: -122.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1336.792452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.792452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.792452 (E_RNA) where: Base-Base interactions energy: -924.342 where: short stacking energy: -398.995 Base-Backbone interact. energy: -3.191 local terms energy: -409.259060 where: bonds (distance) C4'-P energy: -80.998 bonds (distance) P-C4' energy: -84.745 flat angles C4'-P-C4' energy: -85.625 flat angles P-C4'-P energy: -53.383 tors. eta vs tors. theta energy: -104.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1283.315401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.315401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.315401 (E_RNA) where: Base-Base interactions energy: -891.806 where: short stacking energy: -396.388 Base-Backbone interact. energy: 0.268 local terms energy: -391.777432 where: bonds (distance) C4'-P energy: -78.716 bonds (distance) P-C4' energy: -73.687 flat angles C4'-P-C4' energy: -81.574 flat angles P-C4'-P energy: -52.361 tors. eta vs tors. theta energy: -105.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1197.815640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.815640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.815640 (E_RNA) where: Base-Base interactions energy: -802.415 where: short stacking energy: -359.014 Base-Backbone interact. energy: 1.389 local terms energy: -396.790216 where: bonds (distance) C4'-P energy: -74.039 bonds (distance) P-C4' energy: -82.551 flat angles C4'-P-C4' energy: -76.814 flat angles P-C4'-P energy: -55.026 tors. eta vs tors. theta energy: -108.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1179.188040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.188040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.188040 (E_RNA) where: Base-Base interactions energy: -803.842 where: short stacking energy: -344.627 Base-Backbone interact. energy: 0.284 local terms energy: -375.630015 where: bonds (distance) C4'-P energy: -73.737 bonds (distance) P-C4' energy: -74.336 flat angles C4'-P-C4' energy: -86.064 flat angles P-C4'-P energy: -47.245 tors. eta vs tors. theta energy: -94.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -942.336036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.336036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.336036 (E_RNA) where: Base-Base interactions energy: -612.309 where: short stacking energy: -287.615 Base-Backbone interact. energy: -1.365 local terms energy: -328.661491 where: bonds (distance) C4'-P energy: -69.210 bonds (distance) P-C4' energy: -76.156 flat angles C4'-P-C4' energy: -65.814 flat angles P-C4'-P energy: -45.564 tors. eta vs tors. theta energy: -71.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -761.881946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.881946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.881946 (E_RNA) where: Base-Base interactions energy: -448.629 where: short stacking energy: -202.928 Base-Backbone interact. energy: -2.387 local terms energy: -310.866444 where: bonds (distance) C4'-P energy: -62.486 bonds (distance) P-C4' energy: -77.465 flat angles C4'-P-C4' energy: -73.314 flat angles P-C4'-P energy: -48.352 tors. eta vs tors. theta energy: -49.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -650.500966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.500966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.500966 (E_RNA) where: Base-Base interactions energy: -367.934 where: short stacking energy: -197.727 Base-Backbone interact. energy: 0.634 local terms energy: -283.200725 where: bonds (distance) C4'-P energy: -72.227 bonds (distance) P-C4' energy: -66.948 flat angles C4'-P-C4' energy: -65.620 flat angles P-C4'-P energy: -43.281 tors. eta vs tors. theta energy: -35.125 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: 108 Temperature: 1.300000 Total energy: -613.666551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.666551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.666551 (E_RNA) where: Base-Base interactions energy: -336.781 where: short stacking energy: -171.537 Base-Backbone interact. energy: 0.121 local terms energy: -277.006533 where: bonds (distance) C4'-P energy: -75.279 bonds (distance) P-C4' energy: -74.659 flat angles C4'-P-C4' energy: -62.102 flat angles P-C4'-P energy: -39.270 tors. eta vs tors. theta energy: -25.697 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: 5 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -324.056932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.056932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.056932 (E_RNA) where: Base-Base interactions energy: -100.350 where: short stacking energy: -91.842 Base-Backbone interact. energy: -0.520 local terms energy: -223.186286 where: bonds (distance) C4'-P energy: -62.468 bonds (distance) P-C4' energy: -68.134 flat angles C4'-P-C4' energy: -55.575 flat angles P-C4'-P energy: -33.922 tors. eta vs tors. theta energy: -3.087 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: 7 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1361.474241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.474241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.474241 (E_RNA) where: Base-Base interactions energy: -933.199 where: short stacking energy: -405.100 Base-Backbone interact. energy: 0.068 local terms energy: -428.343815 where: bonds (distance) C4'-P energy: -80.185 bonds (distance) P-C4' energy: -88.982 flat angles C4'-P-C4' energy: -79.737 flat angles P-C4'-P energy: -55.058 tors. eta vs tors. theta energy: -124.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1311.425769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.425769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.425769 (E_RNA) where: Base-Base interactions energy: -897.751 where: short stacking energy: -394.928 Base-Backbone interact. energy: -2.068 local terms energy: -411.607394 where: bonds (distance) C4'-P energy: -65.874 bonds (distance) P-C4' energy: -85.814 flat angles C4'-P-C4' energy: -84.617 flat angles P-C4'-P energy: -55.157 tors. eta vs tors. theta energy: -120.146 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: 3 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1295.558417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.558417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.558417 (E_RNA) where: Base-Base interactions energy: -904.717 where: short stacking energy: -395.438 Base-Backbone interact. energy: -1.272 local terms energy: -389.569828 where: bonds (distance) C4'-P energy: -68.141 bonds (distance) P-C4' energy: -71.872 flat angles C4'-P-C4' energy: -81.556 flat angles P-C4'-P energy: -60.921 tors. eta vs tors. theta energy: -107.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1194.175446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.175446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.175446 (E_RNA) where: Base-Base interactions energy: -815.477 where: short stacking energy: -374.385 Base-Backbone interact. energy: -2.448 local terms energy: -376.250380 where: bonds (distance) C4'-P energy: -69.063 bonds (distance) P-C4' energy: -67.821 flat angles C4'-P-C4' energy: -80.222 flat angles P-C4'-P energy: -49.876 tors. eta vs tors. theta energy: -109.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1178.137293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.137293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.137293 (E_RNA) where: Base-Base interactions energy: -812.383 where: short stacking energy: -345.273 Base-Backbone interact. energy: -1.876 local terms energy: -363.878120 where: bonds (distance) C4'-P energy: -62.257 bonds (distance) P-C4' energy: -71.567 flat angles C4'-P-C4' energy: -81.599 flat angles P-C4'-P energy: -46.913 tors. eta vs tors. theta energy: -101.542 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: 6, replica: 1 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -932.327142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.327142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.327142 (E_RNA) where: Base-Base interactions energy: -605.701 where: short stacking energy: -271.839 Base-Backbone interact. energy: 2.454 local terms energy: -329.080100 where: bonds (distance) C4'-P energy: -72.708 bonds (distance) P-C4' energy: -75.825 flat angles C4'-P-C4' energy: -76.674 flat angles P-C4'-P energy: -35.462 tors. eta vs tors. theta energy: -68.410 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: 8 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -769.268370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.268370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.268370 (E_RNA) where: Base-Base interactions energy: -464.987 where: short stacking energy: -222.840 Base-Backbone interact. energy: 0.050 local terms energy: -304.331761 where: bonds (distance) C4'-P energy: -72.123 bonds (distance) P-C4' energy: -66.075 flat angles C4'-P-C4' energy: -67.605 flat angles P-C4'-P energy: -41.370 tors. eta vs tors. theta energy: -57.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -661.429267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.429267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.429267 (E_RNA) where: Base-Base interactions energy: -392.601 where: short stacking energy: -196.004 Base-Backbone interact. energy: -0.845 local terms energy: -267.983313 where: bonds (distance) C4'-P energy: -58.340 bonds (distance) P-C4' energy: -70.009 flat angles C4'-P-C4' energy: -63.895 flat angles P-C4'-P energy: -36.776 tors. eta vs tors. theta energy: -38.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -642.820723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.820723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.820723 (E_RNA) where: Base-Base interactions energy: -395.637 where: short stacking energy: -213.741 Base-Backbone interact. energy: -0.165 local terms energy: -247.019005 where: bonds (distance) C4'-P energy: -52.421 bonds (distance) P-C4' energy: -51.328 flat angles C4'-P-C4' energy: -69.139 flat angles P-C4'-P energy: -39.675 tors. eta vs tors. theta energy: -34.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -332.226306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.226306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.226306 (E_RNA) where: Base-Base interactions energy: -104.291 where: short stacking energy: -88.104 Base-Backbone interact. energy: 2.860 local terms energy: -230.795094 where: bonds (distance) C4'-P energy: -74.317 bonds (distance) P-C4' energy: -68.046 flat angles C4'-P-C4' energy: -68.557 flat angles P-C4'-P energy: -30.867 tors. eta vs tors. theta energy: 10.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1364.845526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.845526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.845526 (E_RNA) where: Base-Base interactions energy: -935.948 where: short stacking energy: -417.317 Base-Backbone interact. energy: -2.286 local terms energy: -426.611990 where: bonds (distance) C4'-P energy: -82.170 bonds (distance) P-C4' energy: -75.568 flat angles C4'-P-C4' energy: -88.209 flat angles P-C4'-P energy: -53.232 tors. eta vs tors. theta energy: -127.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1322.339293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.339293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.339293 (E_RNA) where: Base-Base interactions energy: -916.473 where: short stacking energy: -394.422 Base-Backbone interact. energy: -2.024 local terms energy: -403.842413 where: bonds (distance) C4'-P energy: -63.849 bonds (distance) P-C4' energy: -79.595 flat angles C4'-P-C4' energy: -90.255 flat angles P-C4'-P energy: -55.329 tors. eta vs tors. theta energy: -114.814 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: 3 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1311.176527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.176527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.176527 (E_RNA) where: Base-Base interactions energy: -919.300 where: short stacking energy: -396.376 Base-Backbone interact. energy: -1.059 local terms energy: -390.818010 where: bonds (distance) C4'-P energy: -73.528 bonds (distance) P-C4' energy: -73.307 flat angles C4'-P-C4' energy: -82.016 flat angles P-C4'-P energy: -46.573 tors. eta vs tors. theta energy: -115.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1171.095312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.095312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.095312 (E_RNA) where: Base-Base interactions energy: -811.466 where: short stacking energy: -349.148 Base-Backbone interact. energy: 0.381 local terms energy: -360.011001 where: bonds (distance) C4'-P energy: -66.453 bonds (distance) P-C4' energy: -69.475 flat angles C4'-P-C4' energy: -76.066 flat angles P-C4'-P energy: -45.535 tors. eta vs tors. theta energy: -102.483 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: 4 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1186.755718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.755718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.755718 (E_RNA) where: Base-Base interactions energy: -813.681 where: short stacking energy: -366.606 Base-Backbone interact. energy: 0.057 local terms energy: -373.131681 where: bonds (distance) C4'-P energy: -59.228 bonds (distance) P-C4' energy: -69.093 flat angles C4'-P-C4' energy: -77.649 flat angles P-C4'-P energy: -53.043 tors. eta vs tors. theta energy: -114.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -924.437577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.437577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.437577 (E_RNA) where: Base-Base interactions energy: -609.966 where: short stacking energy: -282.224 Base-Backbone interact. energy: -0.473 local terms energy: -313.998921 where: bonds (distance) C4'-P energy: -58.954 bonds (distance) P-C4' energy: -75.533 flat angles C4'-P-C4' energy: -66.165 flat angles P-C4'-P energy: -48.916 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: 8 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -783.609779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.609779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.609779 (E_RNA) where: Base-Base interactions energy: -478.135 where: short stacking energy: -250.292 Base-Backbone interact. energy: -0.350 local terms energy: -305.124836 where: bonds (distance) C4'-P energy: -67.298 bonds (distance) P-C4' energy: -67.212 flat angles C4'-P-C4' energy: -69.543 flat angles P-C4'-P energy: -39.474 tors. eta vs tors. theta energy: -61.598 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: 6 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -652.630222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.630222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.630222 (E_RNA) where: Base-Base interactions energy: -378.289 where: short stacking energy: -189.944 Base-Backbone interact. energy: -1.222 local terms energy: -273.119405 where: bonds (distance) C4'-P energy: -74.559 bonds (distance) P-C4' energy: -72.993 flat angles C4'-P-C4' energy: -59.833 flat angles P-C4'-P energy: -42.882 tors. eta vs tors. theta energy: -22.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -610.061714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.061714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.061714 (E_RNA) where: Base-Base interactions energy: -351.788 where: short stacking energy: -156.951 Base-Backbone interact. energy: -0.318 local terms energy: -257.955003 where: bonds (distance) C4'-P energy: -72.788 bonds (distance) P-C4' energy: -74.438 flat angles C4'-P-C4' energy: -59.845 flat angles P-C4'-P energy: -31.140 tors. eta vs tors. theta energy: -19.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -325.048371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.048371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.048371 (E_RNA) where: Base-Base interactions energy: -95.657 where: short stacking energy: -83.831 Base-Backbone interact. energy: 1.962 local terms energy: -231.353374 where: bonds (distance) C4'-P energy: -60.814 bonds (distance) P-C4' energy: -70.688 flat angles C4'-P-C4' energy: -69.654 flat angles P-C4'-P energy: -45.077 tors. eta vs tors. theta energy: 14.880 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: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1364.066305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.066305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.066305 (E_RNA) where: Base-Base interactions energy: -932.325 where: short stacking energy: -424.969 Base-Backbone interact. energy: -2.286 local terms energy: -429.455088 where: bonds (distance) C4'-P energy: -74.944 bonds (distance) P-C4' energy: -85.621 flat angles C4'-P-C4' energy: -83.146 flat angles P-C4'-P energy: -58.938 tors. eta vs tors. theta energy: -126.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1312.781743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.781743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.781743 (E_RNA) where: Base-Base interactions energy: -921.767 where: short stacking energy: -393.373 Base-Backbone interact. energy: 0.970 local terms energy: -391.984646 where: bonds (distance) C4'-P energy: -62.319 bonds (distance) P-C4' energy: -79.954 flat angles C4'-P-C4' energy: -87.668 flat angles P-C4'-P energy: -50.206 tors. eta vs tors. theta energy: -111.838 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: 3, replica: 3 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1278.909288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.909288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.909288 (E_RNA) where: Base-Base interactions energy: -871.428 where: short stacking energy: -390.719 Base-Backbone interact. energy: -0.103 local terms energy: -407.378824 where: bonds (distance) C4'-P energy: -73.754 bonds (distance) P-C4' energy: -80.564 flat angles C4'-P-C4' energy: -85.051 flat angles P-C4'-P energy: -59.288 tors. eta vs tors. theta energy: -108.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1257.471758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.471758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.471758 (E_RNA) where: Base-Base interactions energy: -861.587 where: short stacking energy: -372.849 Base-Backbone interact. energy: 1.563 local terms energy: -397.446946 where: bonds (distance) C4'-P energy: -76.851 bonds (distance) P-C4' energy: -72.059 flat angles C4'-P-C4' energy: -80.842 flat angles P-C4'-P energy: -58.787 tors. eta vs tors. theta energy: -108.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1185.910377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.910377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.910377 (E_RNA) where: Base-Base interactions energy: -814.988 where: short stacking energy: -364.124 Base-Backbone interact. energy: 0.395 local terms energy: -371.317502 where: bonds (distance) C4'-P energy: -73.563 bonds (distance) P-C4' energy: -74.036 flat angles C4'-P-C4' energy: -79.823 flat angles P-C4'-P energy: -50.656 tors. eta vs tors. theta energy: -93.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -956.846993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.846993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.846993 (E_RNA) where: Base-Base interactions energy: -614.672 where: short stacking energy: -273.842 Base-Backbone interact. energy: 2.702 local terms energy: -344.876860 where: bonds (distance) C4'-P energy: -74.291 bonds (distance) P-C4' energy: -71.684 flat angles C4'-P-C4' energy: -80.622 flat angles P-C4'-P energy: -48.478 tors. eta vs tors. theta energy: -69.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -827.662694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.662694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.662694 (E_RNA) where: Base-Base interactions energy: -537.770 where: short stacking energy: -233.189 Base-Backbone interact. energy: -0.518 local terms energy: -289.374956 where: bonds (distance) C4'-P energy: -58.380 bonds (distance) P-C4' energy: -68.267 flat angles C4'-P-C4' energy: -70.780 flat angles P-C4'-P energy: -32.225 tors. eta vs tors. theta energy: -59.723 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: 10 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -709.600156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.600156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.600156 (E_RNA) where: Base-Base interactions energy: -426.959 where: short stacking energy: -206.806 Base-Backbone interact. energy: 0.088 local terms energy: -282.729228 where: bonds (distance) C4'-P energy: -70.006 bonds (distance) P-C4' energy: -58.940 flat angles C4'-P-C4' energy: -72.596 flat angles P-C4'-P energy: -38.891 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: 9, replica: 6 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -623.337806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.337806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.337806 (E_RNA) where: Base-Base interactions energy: -348.738 where: short stacking energy: -179.107 Base-Backbone interact. energy: 0.600 local terms energy: -275.200473 where: bonds (distance) C4'-P energy: -60.263 bonds (distance) P-C4' energy: -70.214 flat angles C4'-P-C4' energy: -64.731 flat angles P-C4'-P energy: -40.233 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: 10, replica: 5 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -340.192361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.192361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.192361 (E_RNA) where: Base-Base interactions energy: -132.948 where: short stacking energy: -100.886 Base-Backbone interact. energy: 1.311 local terms energy: -208.555476 where: bonds (distance) C4'-P energy: -57.965 bonds (distance) P-C4' energy: -67.181 flat angles C4'-P-C4' energy: -49.642 flat angles P-C4'-P energy: -37.469 tors. eta vs tors. theta energy: 3.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1361.855983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.855983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.855983 (E_RNA) where: Base-Base interactions energy: -938.197 where: short stacking energy: -425.477 Base-Backbone interact. energy: -2.811 local terms energy: -420.847954 where: bonds (distance) C4'-P energy: -70.989 bonds (distance) P-C4' energy: -80.573 flat angles C4'-P-C4' energy: -83.915 flat angles P-C4'-P energy: -61.640 tors. eta vs tors. theta energy: -123.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1314.448055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.448055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.448055 (E_RNA) where: Base-Base interactions energy: -889.565 where: short stacking energy: -382.658 Base-Backbone interact. energy: 7.179 local terms energy: -432.061396 where: bonds (distance) C4'-P energy: -85.160 bonds (distance) P-C4' energy: -82.637 flat angles C4'-P-C4' energy: -93.755 flat angles P-C4'-P energy: -54.382 tors. eta vs tors. theta energy: -116.127 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: 3 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1291.603206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.603206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.603206 (E_RNA) where: Base-Base interactions energy: -896.903 where: short stacking energy: -396.059 Base-Backbone interact. energy: -1.176 local terms energy: -393.523736 where: bonds (distance) C4'-P energy: -76.327 bonds (distance) P-C4' energy: -73.360 flat angles C4'-P-C4' energy: -83.201 flat angles P-C4'-P energy: -49.481 tors. eta vs tors. theta energy: -111.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1210.824436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.824436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.824436 (E_RNA) where: Base-Base interactions energy: -808.672 where: short stacking energy: -356.522 Base-Backbone interact. energy: -1.420 local terms energy: -400.732356 where: bonds (distance) C4'-P energy: -74.987 bonds (distance) P-C4' energy: -68.638 flat angles C4'-P-C4' energy: -86.488 flat angles P-C4'-P energy: -62.855 tors. eta vs tors. theta energy: -107.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1117.829390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.829390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.829390 (E_RNA) where: Base-Base interactions energy: -762.125 where: short stacking energy: -338.452 Base-Backbone interact. energy: -0.191 local terms energy: -355.513435 where: bonds (distance) C4'-P energy: -66.298 bonds (distance) P-C4' energy: -73.113 flat angles C4'-P-C4' energy: -68.354 flat angles P-C4'-P energy: -55.517 tors. eta vs tors. theta energy: -92.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -998.720882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.720882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.720882 (E_RNA) where: Base-Base interactions energy: -648.447 where: short stacking energy: -317.965 Base-Backbone interact. energy: -1.022 local terms energy: -349.251509 where: bonds (distance) C4'-P energy: -75.149 bonds (distance) P-C4' energy: -80.488 flat angles C4'-P-C4' energy: -62.501 flat angles P-C4'-P energy: -38.753 tors. eta vs tors. theta energy: -92.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -804.340919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.340919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.340919 (E_RNA) where: Base-Base interactions energy: -513.673 where: short stacking energy: -225.633 Base-Backbone interact. energy: 3.318 local terms energy: -293.985952 where: bonds (distance) C4'-P energy: -66.089 bonds (distance) P-C4' energy: -71.851 flat angles C4'-P-C4' energy: -72.794 flat angles P-C4'-P energy: -49.289 tors. eta vs tors. theta energy: -33.962 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: 10 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -675.200237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.200237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.200237 (E_RNA) where: Base-Base interactions energy: -416.403 where: short stacking energy: -203.980 Base-Backbone interact. energy: 2.273 local terms energy: -261.070474 where: bonds (distance) C4'-P energy: -56.294 bonds (distance) P-C4' energy: -66.924 flat angles C4'-P-C4' energy: -70.645 flat angles P-C4'-P energy: -34.625 tors. eta vs tors. theta energy: -32.582 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: 6 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -580.378421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.378421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.378421 (E_RNA) where: Base-Base interactions energy: -346.254 where: short stacking energy: -162.493 Base-Backbone interact. energy: -0.922 local terms energy: -233.201780 where: bonds (distance) C4'-P energy: -62.432 bonds (distance) P-C4' energy: -56.914 flat angles C4'-P-C4' energy: -59.520 flat angles P-C4'-P energy: -30.162 tors. eta vs tors. theta energy: -24.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -334.872088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.872088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.872088 (E_RNA) where: Base-Base interactions energy: -140.586 where: short stacking energy: -109.146 Base-Backbone interact. energy: 8.334 local terms energy: -202.620159 where: bonds (distance) C4'-P energy: -52.897 bonds (distance) P-C4' energy: -65.514 flat angles C4'-P-C4' energy: -55.612 flat angles P-C4'-P energy: -32.758 tors. eta vs tors. theta energy: 4.162 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: 113 Temperature: 0.900000 Total energy: -1357.549633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.549633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.549633 (E_RNA) where: Base-Base interactions energy: -921.251 where: short stacking energy: -422.773 Base-Backbone interact. energy: -0.357 local terms energy: -435.942515 where: bonds (distance) C4'-P energy: -71.720 bonds (distance) P-C4' energy: -86.773 flat angles C4'-P-C4' energy: -91.511 flat angles P-C4'-P energy: -58.586 tors. eta vs tors. theta energy: -127.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1325.115196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.115196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.115196 (E_RNA) where: Base-Base interactions energy: -915.494 where: short stacking energy: -397.386 Base-Backbone interact. energy: -0.711 local terms energy: -408.910794 where: bonds (distance) C4'-P energy: -73.241 bonds (distance) P-C4' energy: -75.725 flat angles C4'-P-C4' energy: -90.618 flat angles P-C4'-P energy: -54.960 tors. eta vs tors. theta energy: -114.367 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: 3, replica: 2 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1297.774386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.774386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.774386 (E_RNA) where: Base-Base interactions energy: -881.518 where: short stacking energy: -376.626 Base-Backbone interact. energy: 0.123 local terms energy: -416.379850 where: bonds (distance) C4'-P energy: -67.907 bonds (distance) P-C4' energy: -84.912 flat angles C4'-P-C4' energy: -96.362 flat angles P-C4'-P energy: -55.339 tors. eta vs tors. theta energy: -111.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1232.630055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.630055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.630055 (E_RNA) where: Base-Base interactions energy: -846.910 where: short stacking energy: -365.583 Base-Backbone interact. energy: -2.245 local terms energy: -383.474829 where: bonds (distance) C4'-P energy: -61.854 bonds (distance) P-C4' energy: -65.582 flat angles C4'-P-C4' energy: -80.706 flat angles P-C4'-P energy: -62.626 tors. eta vs tors. theta energy: -112.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1122.181964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.181964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.181964 (E_RNA) where: Base-Base interactions energy: -758.330 where: short stacking energy: -344.522 Base-Backbone interact. energy: -2.285 local terms energy: -361.566790 where: bonds (distance) C4'-P energy: -71.227 bonds (distance) P-C4' energy: -72.356 flat angles C4'-P-C4' energy: -81.275 flat angles P-C4'-P energy: -40.741 tors. eta vs tors. theta energy: -95.968 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: 1 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1009.071392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.071392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.071392 (E_RNA) where: Base-Base interactions energy: -682.529 where: short stacking energy: -299.971 Base-Backbone interact. energy: -1.266 local terms energy: -325.276162 where: bonds (distance) C4'-P energy: -63.627 bonds (distance) P-C4' energy: -69.542 flat angles C4'-P-C4' energy: -69.073 flat angles P-C4'-P energy: -38.825 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: 7, replica: 8 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -786.339693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.339693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.339693 (E_RNA) where: Base-Base interactions energy: -503.639 where: short stacking energy: -245.744 Base-Backbone interact. energy: -0.559 local terms energy: -282.141710 where: bonds (distance) C4'-P energy: -63.118 bonds (distance) P-C4' energy: -65.329 flat angles C4'-P-C4' energy: -52.365 flat angles P-C4'-P energy: -43.883 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: 8, replica: 10 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -691.233036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.233036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.233036 (E_RNA) where: Base-Base interactions energy: -421.120 where: short stacking energy: -206.877 Base-Backbone interact. energy: -2.621 local terms energy: -267.491292 where: bonds (distance) C4'-P energy: -70.557 bonds (distance) P-C4' energy: -69.779 flat angles C4'-P-C4' energy: -59.702 flat angles P-C4'-P energy: -36.964 tors. eta vs tors. theta energy: -30.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -621.086446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.086446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.086446 (E_RNA) where: Base-Base interactions energy: -342.982 where: short stacking energy: -184.416 Base-Backbone interact. energy: 0.073 local terms energy: -278.177001 where: bonds (distance) C4'-P energy: -76.546 bonds (distance) P-C4' energy: -75.627 flat angles C4'-P-C4' energy: -55.976 flat angles P-C4'-P energy: -35.520 tors. eta vs tors. theta energy: -34.508 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: 5 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -332.038032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.038032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.038032 (E_RNA) where: Base-Base interactions energy: -126.039 where: short stacking energy: -108.865 Base-Backbone interact. energy: 0.258 local terms energy: -206.257030 where: bonds (distance) C4'-P energy: -73.921 bonds (distance) P-C4' energy: -61.429 flat angles C4'-P-C4' energy: -57.881 flat angles P-C4'-P energy: -14.005 tors. eta vs tors. theta energy: 0.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1352.051229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.051229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.051229 (E_RNA) where: Base-Base interactions energy: -930.736 where: short stacking energy: -424.468 Base-Backbone interact. energy: -3.390 local terms energy: -417.924755 where: bonds (distance) C4'-P energy: -70.174 bonds (distance) P-C4' energy: -76.944 flat angles C4'-P-C4' energy: -87.487 flat angles P-C4'-P energy: -58.006 tors. eta vs tors. theta energy: -125.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1349.518146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.518146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.518146 (E_RNA) where: Base-Base interactions energy: -928.320 where: short stacking energy: -408.897 Base-Backbone interact. energy: 0.095 local terms energy: -421.294112 where: bonds (distance) C4'-P energy: -76.617 bonds (distance) P-C4' energy: -76.636 flat angles C4'-P-C4' energy: -92.544 flat angles P-C4'-P energy: -60.876 tors. eta vs tors. theta energy: -114.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1286.030107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.030107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.030107 (E_RNA) where: Base-Base interactions energy: -894.143 where: short stacking energy: -386.478 Base-Backbone interact. energy: 0.135 local terms energy: -392.021556 where: bonds (distance) C4'-P energy: -74.202 bonds (distance) P-C4' energy: -69.879 flat angles C4'-P-C4' energy: -81.748 flat angles P-C4'-P energy: -57.309 tors. eta vs tors. theta energy: -108.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1215.616744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.616744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.616744 (E_RNA) where: Base-Base interactions energy: -844.998 where: short stacking energy: -363.585 Base-Backbone interact. energy: -0.338 local terms energy: -370.281033 where: bonds (distance) C4'-P energy: -64.553 bonds (distance) P-C4' energy: -69.230 flat angles C4'-P-C4' energy: -87.288 flat angles P-C4'-P energy: -44.204 tors. eta vs tors. theta energy: -105.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1143.542523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.542523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.542523 (E_RNA) where: Base-Base interactions energy: -784.559 where: short stacking energy: -349.156 Base-Backbone interact. energy: -0.380 local terms energy: -358.603562 where: bonds (distance) C4'-P energy: -61.754 bonds (distance) P-C4' energy: -80.676 flat angles C4'-P-C4' energy: -74.651 flat angles P-C4'-P energy: -46.392 tors. eta vs tors. theta energy: -95.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -950.272232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.272232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.272232 (E_RNA) where: Base-Base interactions energy: -613.217 where: short stacking energy: -263.434 Base-Backbone interact. energy: -1.772 local terms energy: -335.283233 where: bonds (distance) C4'-P energy: -70.025 bonds (distance) P-C4' energy: -66.478 flat angles C4'-P-C4' energy: -73.459 flat angles P-C4'-P energy: -57.941 tors. eta vs tors. theta energy: -67.379 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: 10 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -794.053316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.053316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.053316 (E_RNA) where: Base-Base interactions energy: -491.812 where: short stacking energy: -246.413 Base-Backbone interact. energy: -2.375 local terms energy: -299.865469 where: bonds (distance) C4'-P energy: -67.315 bonds (distance) P-C4' energy: -64.574 flat angles C4'-P-C4' energy: -72.483 flat angles P-C4'-P energy: -46.168 tors. eta vs tors. theta energy: -49.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -745.487146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.487146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.487146 (E_RNA) where: Base-Base interactions energy: -461.664 where: short stacking energy: -219.256 Base-Backbone interact. energy: -1.077 local terms energy: -282.746859 where: bonds (distance) C4'-P energy: -61.193 bonds (distance) P-C4' energy: -73.971 flat angles C4'-P-C4' energy: -57.121 flat angles P-C4'-P energy: -47.269 tors. eta vs tors. theta energy: -43.193 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: 6 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -573.226655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.226655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.226655 (E_RNA) where: Base-Base interactions energy: -323.423 where: short stacking energy: -174.233 Base-Backbone interact. energy: -0.862 local terms energy: -248.941422 where: bonds (distance) C4'-P energy: -69.339 bonds (distance) P-C4' energy: -66.652 flat angles C4'-P-C4' energy: -61.772 flat angles P-C4'-P energy: -31.270 tors. eta vs tors. theta energy: -19.909 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: 5 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -322.062333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.062333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.062333 (E_RNA) where: Base-Base interactions energy: -113.683 where: short stacking energy: -96.812 Base-Backbone interact. energy: 0.938 local terms energy: -209.316766 where: bonds (distance) C4'-P energy: -64.787 bonds (distance) P-C4' energy: -58.805 flat angles C4'-P-C4' energy: -58.348 flat angles P-C4'-P energy: -35.290 tors. eta vs tors. theta energy: 7.912 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: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1351.623368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.623368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.623368 (E_RNA) where: Base-Base interactions energy: -920.994 where: short stacking energy: -426.569 Base-Backbone interact. energy: -1.137 local terms energy: -429.492232 where: bonds (distance) C4'-P energy: -79.451 bonds (distance) P-C4' energy: -82.348 flat angles C4'-P-C4' energy: -89.490 flat angles P-C4'-P energy: -54.722 tors. eta vs tors. theta energy: -123.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1341.930857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.930857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.930857 (E_RNA) where: Base-Base interactions energy: -937.471 where: short stacking energy: -417.128 Base-Backbone interact. energy: 1.353 local terms energy: -405.813306 where: bonds (distance) C4'-P energy: -72.827 bonds (distance) P-C4' energy: -70.424 flat angles C4'-P-C4' energy: -88.572 flat angles P-C4'-P energy: -61.591 tors. eta vs tors. theta energy: -112.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1270.170489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.170489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.170489 (E_RNA) where: Base-Base interactions energy: -860.976 where: short stacking energy: -387.699 Base-Backbone interact. energy: -0.513 local terms energy: -408.681793 where: bonds (distance) C4'-P energy: -72.490 bonds (distance) P-C4' energy: -80.645 flat angles C4'-P-C4' energy: -89.459 flat angles P-C4'-P energy: -56.830 tors. eta vs tors. theta energy: -109.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1225.045526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.045526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.045526 (E_RNA) where: Base-Base interactions energy: -824.683 where: short stacking energy: -352.082 Base-Backbone interact. energy: -1.214 local terms energy: -399.148681 where: bonds (distance) C4'-P energy: -84.970 bonds (distance) P-C4' energy: -75.504 flat angles C4'-P-C4' energy: -80.477 flat angles P-C4'-P energy: -49.187 tors. eta vs tors. theta energy: -109.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1159.389773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.389773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.389773 (E_RNA) where: Base-Base interactions energy: -796.012 where: short stacking energy: -339.245 Base-Backbone interact. energy: -1.597 local terms energy: -361.780910 where: bonds (distance) C4'-P energy: -62.952 bonds (distance) P-C4' energy: -64.511 flat angles C4'-P-C4' energy: -85.091 flat angles P-C4'-P energy: -50.829 tors. eta vs tors. theta energy: -98.398 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: 1 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -990.656915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.656915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.656915 (E_RNA) where: Base-Base interactions energy: -638.152 where: short stacking energy: -287.024 Base-Backbone interact. energy: -0.508 local terms energy: -351.996611 where: bonds (distance) C4'-P energy: -68.567 bonds (distance) P-C4' energy: -80.374 flat angles C4'-P-C4' energy: -71.390 flat angles P-C4'-P energy: -49.515 tors. eta vs tors. theta energy: -82.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -806.841732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.841732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.841732 (E_RNA) where: Base-Base interactions energy: -511.369 where: short stacking energy: -231.264 Base-Backbone interact. energy: -0.953 local terms energy: -294.519943 where: bonds (distance) C4'-P energy: -60.588 bonds (distance) P-C4' energy: -72.872 flat angles C4'-P-C4' energy: -67.142 flat angles P-C4'-P energy: -44.742 tors. eta vs tors. theta energy: -49.177 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: 115 Temperature: 1.250000 Total energy: -668.541844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.541844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.541844 (E_RNA) where: Base-Base interactions energy: -402.933 where: short stacking energy: -181.692 Base-Backbone interact. energy: -0.451 local terms energy: -265.157481 where: bonds (distance) C4'-P energy: -71.550 bonds (distance) P-C4' energy: -63.025 flat angles C4'-P-C4' energy: -63.174 flat angles P-C4'-P energy: -37.575 tors. eta vs tors. theta energy: -29.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -621.685510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.685510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.685510 (E_RNA) where: Base-Base interactions energy: -373.907 where: short stacking energy: -183.734 Base-Backbone interact. energy: -1.757 local terms energy: -246.021388 where: bonds (distance) C4'-P energy: -54.275 bonds (distance) P-C4' energy: -65.326 flat angles C4'-P-C4' energy: -53.890 flat angles P-C4'-P energy: -40.704 tors. eta vs tors. theta energy: -31.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -328.221534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.221534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.221534 (E_RNA) where: Base-Base interactions energy: -139.093 where: short stacking energy: -111.732 Base-Backbone interact. energy: 1.155 local terms energy: -190.283284 where: bonds (distance) C4'-P energy: -52.066 bonds (distance) P-C4' energy: -63.129 flat angles C4'-P-C4' energy: -47.625 flat angles P-C4'-P energy: -32.176 tors. eta vs tors. theta energy: 4.712 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: 7 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1354.266312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.266312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.266312 (E_RNA) where: Base-Base interactions energy: -918.736 where: short stacking energy: -425.985 Base-Backbone interact. energy: -1.948 local terms energy: -433.582609 where: bonds (distance) C4'-P energy: -72.861 bonds (distance) P-C4' energy: -79.943 flat angles C4'-P-C4' energy: -92.530 flat angles P-C4'-P energy: -61.213 tors. eta vs tors. theta energy: -127.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1325.569333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.569333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.569333 (E_RNA) where: Base-Base interactions energy: -917.793 where: short stacking energy: -385.290 Base-Backbone interact. energy: -1.577 local terms energy: -406.199075 where: bonds (distance) C4'-P energy: -69.631 bonds (distance) P-C4' energy: -80.845 flat angles C4'-P-C4' energy: -78.653 flat angles P-C4'-P energy: -59.365 tors. eta vs tors. theta energy: -117.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1265.309174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.309174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.309174 (E_RNA) where: Base-Base interactions energy: -888.011 where: short stacking energy: -370.627 Base-Backbone interact. energy: -2.896 local terms energy: -374.402188 where: bonds (distance) C4'-P energy: -78.795 bonds (distance) P-C4' energy: -67.213 flat angles C4'-P-C4' energy: -78.216 flat angles P-C4'-P energy: -47.761 tors. eta vs tors. theta energy: -102.418 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: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1231.230023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.230023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.230023 (E_RNA) where: Base-Base interactions energy: -838.419 where: short stacking energy: -386.017 Base-Backbone interact. energy: -0.169 local terms energy: -392.642031 where: bonds (distance) C4'-P energy: -76.597 bonds (distance) P-C4' energy: -73.250 flat angles C4'-P-C4' energy: -81.587 flat angles P-C4'-P energy: -44.095 tors. eta vs tors. theta energy: -117.113 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: 9 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1127.471865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.471865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.471865 (E_RNA) where: Base-Base interactions energy: -786.675 where: short stacking energy: -332.432 Base-Backbone interact. energy: -1.214 local terms energy: -339.582651 where: bonds (distance) C4'-P energy: -62.483 bonds (distance) P-C4' energy: -57.905 flat angles C4'-P-C4' energy: -79.422 flat angles P-C4'-P energy: -53.516 tors. eta vs tors. theta energy: -86.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -946.395578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.395578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.395578 (E_RNA) where: Base-Base interactions energy: -615.147 where: short stacking energy: -301.338 Base-Backbone interact. energy: 3.152 local terms energy: -334.400208 where: bonds (distance) C4'-P energy: -67.267 bonds (distance) P-C4' energy: -67.741 flat angles C4'-P-C4' energy: -76.760 flat angles P-C4'-P energy: -49.969 tors. eta vs tors. theta energy: -72.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -815.247088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.247088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.247088 (E_RNA) where: Base-Base interactions energy: -515.851 where: short stacking energy: -250.125 Base-Backbone interact. energy: 0.718 local terms energy: -300.114059 where: bonds (distance) C4'-P energy: -60.530 bonds (distance) P-C4' energy: -72.543 flat angles C4'-P-C4' energy: -58.265 flat angles P-C4'-P energy: -48.773 tors. eta vs tors. theta energy: -60.002 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: 8 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -728.365179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.365179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.365179 (E_RNA) where: Base-Base interactions energy: -460.943 where: short stacking energy: -205.445 Base-Backbone interact. energy: -2.923 local terms energy: -264.499001 where: bonds (distance) C4'-P energy: -54.119 bonds (distance) P-C4' energy: -59.037 flat angles C4'-P-C4' energy: -65.023 flat angles P-C4'-P energy: -33.717 tors. eta vs tors. theta energy: -52.603 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: 6 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -620.936371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.936371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.936371 (E_RNA) where: Base-Base interactions energy: -380.675 where: short stacking energy: -205.450 Base-Backbone interact. energy: 0.508 local terms energy: -240.769428 where: bonds (distance) C4'-P energy: -60.168 bonds (distance) P-C4' energy: -55.073 flat angles C4'-P-C4' energy: -55.339 flat angles P-C4'-P energy: -33.650 tors. eta vs tors. theta energy: -36.539 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: 5 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -373.810233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.810233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.810233 (E_RNA) where: Base-Base interactions energy: -152.923 where: short stacking energy: -95.237 Base-Backbone interact. energy: -2.686 local terms energy: -218.200472 where: bonds (distance) C4'-P energy: -53.830 bonds (distance) P-C4' energy: -71.252 flat angles C4'-P-C4' energy: -63.735 flat angles P-C4'-P energy: -31.686 tors. eta vs tors. theta energy: 2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1328.790437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.790437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.790437 (E_RNA) where: Base-Base interactions energy: -899.408 where: short stacking energy: -412.625 Base-Backbone interact. energy: -3.479 local terms energy: -425.903324 where: bonds (distance) C4'-P energy: -83.223 bonds (distance) P-C4' energy: -72.796 flat angles C4'-P-C4' energy: -87.968 flat angles P-C4'-P energy: -53.943 tors. eta vs tors. theta energy: -127.973 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: 3 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1335.977055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.977055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.977055 (E_RNA) where: Base-Base interactions energy: -920.834 where: short stacking energy: -403.315 Base-Backbone interact. energy: -2.638 local terms energy: -412.505898 where: bonds (distance) C4'-P energy: -86.478 bonds (distance) P-C4' energy: -72.119 flat angles C4'-P-C4' energy: -83.147 flat angles P-C4'-P energy: -56.933 tors. eta vs tors. theta energy: -113.829 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: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1271.571316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.571316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.571316 (E_RNA) where: Base-Base interactions energy: -874.403 where: short stacking energy: -368.223 Base-Backbone interact. energy: -1.850 local terms energy: -395.317888 where: bonds (distance) C4'-P energy: -62.867 bonds (distance) P-C4' energy: -69.116 flat angles C4'-P-C4' energy: -88.166 flat angles P-C4'-P energy: -58.760 tors. eta vs tors. theta energy: -116.408 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: 4 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1230.906588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.906588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.906588 (E_RNA) where: Base-Base interactions energy: -841.222 where: short stacking energy: -371.005 Base-Backbone interact. energy: 0.409 local terms energy: -390.093510 where: bonds (distance) C4'-P energy: -60.269 bonds (distance) P-C4' energy: -80.329 flat angles C4'-P-C4' energy: -88.843 flat angles P-C4'-P energy: -51.703 tors. eta vs tors. theta energy: -108.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1139.178403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.178403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.178403 (E_RNA) where: Base-Base interactions energy: -770.239 where: short stacking energy: -321.296 Base-Backbone interact. energy: 3.190 local terms energy: -372.128569 where: bonds (distance) C4'-P energy: -65.701 bonds (distance) P-C4' energy: -73.458 flat angles C4'-P-C4' energy: -80.118 flat angles P-C4'-P energy: -58.452 tors. eta vs tors. theta energy: -94.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -924.297414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.297414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.297414 (E_RNA) where: Base-Base interactions energy: -594.111 where: short stacking energy: -266.534 Base-Backbone interact. energy: 0.013 local terms energy: -330.199522 where: bonds (distance) C4'-P energy: -71.914 bonds (distance) P-C4' energy: -70.453 flat angles C4'-P-C4' energy: -76.719 flat angles P-C4'-P energy: -35.444 tors. eta vs tors. theta energy: -75.669 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: 10 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -806.452000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.452000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.452000 (E_RNA) where: Base-Base interactions energy: -489.949 where: short stacking energy: -249.276 Base-Backbone interact. energy: -2.181 local terms energy: -314.322238 where: bonds (distance) C4'-P energy: -70.660 bonds (distance) P-C4' energy: -59.723 flat angles C4'-P-C4' energy: -72.940 flat angles P-C4'-P energy: -46.724 tors. eta vs tors. theta energy: -64.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -671.497604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.497604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.497604 (E_RNA) where: Base-Base interactions energy: -405.448 where: short stacking energy: -191.590 Base-Backbone interact. energy: 0.015 local terms energy: -266.064112 where: bonds (distance) C4'-P energy: -58.782 bonds (distance) P-C4' energy: -62.834 flat angles C4'-P-C4' energy: -73.810 flat angles P-C4'-P energy: -45.517 tors. eta vs tors. theta energy: -25.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -634.593620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.593620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.593620 (E_RNA) where: Base-Base interactions energy: -365.676 where: short stacking energy: -185.361 Base-Backbone interact. energy: 1.121 local terms energy: -270.038508 where: bonds (distance) C4'-P energy: -66.225 bonds (distance) P-C4' energy: -81.179 flat angles C4'-P-C4' energy: -58.326 flat angles P-C4'-P energy: -41.842 tors. eta vs tors. theta energy: -22.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -321.941892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.941892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.941892 (E_RNA) where: Base-Base interactions energy: -128.617 where: short stacking energy: -91.778 Base-Backbone interact. energy: 1.170 local terms energy: -194.495494 where: bonds (distance) C4'-P energy: -58.823 bonds (distance) P-C4' energy: -60.743 flat angles C4'-P-C4' energy: -53.614 flat angles P-C4'-P energy: -35.793 tors. eta vs tors. theta energy: 14.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1370.592095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.592095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.592095 (E_RNA) where: Base-Base interactions energy: -952.768 where: short stacking energy: -405.984 Base-Backbone interact. energy: -0.283 local terms energy: -417.541402 where: bonds (distance) C4'-P energy: -77.394 bonds (distance) P-C4' energy: -78.903 flat angles C4'-P-C4' energy: -81.809 flat angles P-C4'-P energy: -67.709 tors. eta vs tors. theta energy: -111.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1333.002131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.002131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.002131 (E_RNA) where: Base-Base interactions energy: -917.981 where: short stacking energy: -420.882 Base-Backbone interact. energy: -1.410 local terms energy: -413.611957 where: bonds (distance) C4'-P energy: -67.715 bonds (distance) P-C4' energy: -80.019 flat angles C4'-P-C4' energy: -86.156 flat angles P-C4'-P energy: -51.123 tors. eta vs tors. theta energy: -128.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1282.755426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.755426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.755426 (E_RNA) where: Base-Base interactions energy: -874.854 where: short stacking energy: -348.335 Base-Backbone interact. energy: -2.000 local terms energy: -405.901889 where: bonds (distance) C4'-P energy: -82.402 bonds (distance) P-C4' energy: -81.878 flat angles C4'-P-C4' energy: -83.892 flat angles P-C4'-P energy: -60.078 tors. eta vs tors. theta energy: -97.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1255.875176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.875176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.875176 (E_RNA) where: Base-Base interactions energy: -848.013 where: short stacking energy: -371.025 Base-Backbone interact. energy: -1.593 local terms energy: -406.269738 where: bonds (distance) C4'-P energy: -82.836 bonds (distance) P-C4' energy: -82.845 flat angles C4'-P-C4' energy: -85.043 flat angles P-C4'-P energy: -49.140 tors. eta vs tors. theta energy: -106.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1170.366350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.366350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.366350 (E_RNA) where: Base-Base interactions energy: -794.726 where: short stacking energy: -357.065 Base-Backbone interact. energy: -4.499 local terms energy: -371.140912 where: bonds (distance) C4'-P energy: -63.422 bonds (distance) P-C4' energy: -59.348 flat angles C4'-P-C4' energy: -81.591 flat angles P-C4'-P energy: -58.193 tors. eta vs tors. theta energy: -108.588 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: 1 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1004.784416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.784416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.784416 (E_RNA) where: Base-Base interactions energy: -631.995 where: short stacking energy: -282.659 Base-Backbone interact. energy: -0.726 local terms energy: -372.063162 where: bonds (distance) C4'-P energy: -73.377 bonds (distance) P-C4' energy: -64.312 flat angles C4'-P-C4' energy: -90.627 flat angles P-C4'-P energy: -64.311 tors. eta vs tors. theta energy: -79.436 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: 10 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -859.808751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.808751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.808751 (E_RNA) where: Base-Base interactions energy: -531.409 where: short stacking energy: -257.433 Base-Backbone interact. energy: -1.656 local terms energy: -326.744172 where: bonds (distance) C4'-P energy: -71.637 bonds (distance) P-C4' energy: -71.216 flat angles C4'-P-C4' energy: -70.835 flat angles P-C4'-P energy: -50.129 tors. eta vs tors. theta energy: -62.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -781.089660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.089660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.089660 (E_RNA) where: Base-Base interactions energy: -487.157 where: short stacking energy: -228.977 Base-Backbone interact. energy: 4.353 local terms energy: -298.285630 where: bonds (distance) C4'-P energy: -65.503 bonds (distance) P-C4' energy: -63.084 flat angles C4'-P-C4' energy: -78.250 flat angles P-C4'-P energy: -38.020 tors. eta vs tors. theta energy: -53.429 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: 6 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -619.010273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.010273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.010273 (E_RNA) where: Base-Base interactions energy: -348.998 where: short stacking energy: -204.336 Base-Backbone interact. energy: -0.344 local terms energy: -269.668229 where: bonds (distance) C4'-P energy: -55.796 bonds (distance) P-C4' energy: -69.320 flat angles C4'-P-C4' energy: -72.249 flat angles P-C4'-P energy: -32.490 tors. eta vs tors. theta energy: -39.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -418.943870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.943870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.943870 (E_RNA) where: Base-Base interactions energy: -174.936 where: short stacking energy: -115.422 Base-Backbone interact. energy: 0.051 local terms energy: -244.059621 where: bonds (distance) C4'-P energy: -66.078 bonds (distance) P-C4' energy: -81.073 flat angles C4'-P-C4' energy: -63.874 flat angles P-C4'-P energy: -29.055 tors. eta vs tors. theta energy: -3.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1382.096633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.096633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.096633 (E_RNA) where: Base-Base interactions energy: -958.905 where: short stacking energy: -408.755 Base-Backbone interact. energy: -0.089 local terms energy: -423.103286 where: bonds (distance) C4'-P energy: -71.471 bonds (distance) P-C4' energy: -80.740 flat angles C4'-P-C4' energy: -88.754 flat angles P-C4'-P energy: -64.170 tors. eta vs tors. theta energy: -117.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1322.202225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.202225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.202225 (E_RNA) where: Base-Base interactions energy: -911.013 where: short stacking energy: -407.469 Base-Backbone interact. energy: -3.211 local terms energy: -407.977627 where: bonds (distance) C4'-P energy: -77.882 bonds (distance) P-C4' energy: -76.083 flat angles C4'-P-C4' energy: -79.952 flat angles P-C4'-P energy: -52.038 tors. eta vs tors. theta energy: -122.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1315.767946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.767946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.767946 (E_RNA) where: Base-Base interactions energy: -931.817 where: short stacking energy: -382.307 Base-Backbone interact. energy: 0.850 local terms energy: -384.800937 where: bonds (distance) C4'-P energy: -69.962 bonds (distance) P-C4' energy: -70.949 flat angles C4'-P-C4' energy: -70.370 flat angles P-C4'-P energy: -55.750 tors. eta vs tors. theta energy: -117.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1190.962492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.962492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.962492 (E_RNA) where: Base-Base interactions energy: -820.230 where: short stacking energy: -361.024 Base-Backbone interact. energy: -0.243 local terms energy: -370.489587 where: bonds (distance) C4'-P energy: -43.847 bonds (distance) P-C4' energy: -74.081 flat angles C4'-P-C4' energy: -86.697 flat angles P-C4'-P energy: -63.426 tors. eta vs tors. theta energy: -102.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1199.622225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.622225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.622225 (E_RNA) where: Base-Base interactions energy: -828.078 where: short stacking energy: -348.941 Base-Backbone interact. energy: 0.552 local terms energy: -372.096044 where: bonds (distance) C4'-P energy: -77.076 bonds (distance) P-C4' energy: -72.861 flat angles C4'-P-C4' energy: -75.083 flat angles P-C4'-P energy: -47.536 tors. eta vs tors. theta energy: -99.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -996.786135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.786135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.786135 (E_RNA) where: Base-Base interactions energy: -673.400 where: short stacking energy: -285.934 Base-Backbone interact. energy: 2.415 local terms energy: -325.801136 where: bonds (distance) C4'-P energy: -65.654 bonds (distance) P-C4' energy: -69.093 flat angles C4'-P-C4' energy: -67.883 flat angles P-C4'-P energy: -46.284 tors. eta vs tors. theta energy: -76.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -820.546756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.546756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.546756 (E_RNA) where: Base-Base interactions energy: -507.128 where: short stacking energy: -246.436 Base-Backbone interact. energy: 0.497 local terms energy: -313.916432 where: bonds (distance) C4'-P energy: -67.652 bonds (distance) P-C4' energy: -65.923 flat angles C4'-P-C4' energy: -75.233 flat angles P-C4'-P energy: -40.410 tors. eta vs tors. theta energy: -64.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -767.862491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.862491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.862491 (E_RNA) where: Base-Base interactions energy: -467.530 where: short stacking energy: -223.412 Base-Backbone interact. energy: 2.860 local terms energy: -303.192562 where: bonds (distance) C4'-P energy: -70.948 bonds (distance) P-C4' energy: -67.690 flat angles C4'-P-C4' energy: -69.635 flat angles P-C4'-P energy: -48.973 tors. eta vs tors. theta energy: -45.947 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: 6 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -641.229675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.229675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.229675 (E_RNA) where: Base-Base interactions energy: -372.647 where: short stacking energy: -195.834 Base-Backbone interact. energy: 0.043 local terms energy: -268.625228 where: bonds (distance) C4'-P energy: -69.450 bonds (distance) P-C4' energy: -55.032 flat angles C4'-P-C4' energy: -65.203 flat angles P-C4'-P energy: -42.680 tors. eta vs tors. theta energy: -36.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -393.633744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.633744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.633744 (E_RNA) where: Base-Base interactions energy: -194.343 where: short stacking energy: -118.705 Base-Backbone interact. energy: -0.254 local terms energy: -199.037003 where: bonds (distance) C4'-P energy: -58.256 bonds (distance) P-C4' energy: -63.159 flat angles C4'-P-C4' energy: -39.823 flat angles P-C4'-P energy: -38.659 tors. eta vs tors. theta energy: 0.860 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: 1, replica: 3 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1372.066868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.066868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.066868 (E_RNA) where: Base-Base interactions energy: -944.309 where: short stacking energy: -404.597 Base-Backbone interact. energy: -1.843 local terms energy: -425.914949 where: bonds (distance) C4'-P energy: -83.614 bonds (distance) P-C4' energy: -76.717 flat angles C4'-P-C4' energy: -90.378 flat angles P-C4'-P energy: -60.447 tors. eta vs tors. theta energy: -114.758 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: 2, replica: 7 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1310.090836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.090836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.090836 (E_RNA) where: Base-Base interactions energy: -891.573 where: short stacking energy: -384.702 Base-Backbone interact. energy: -1.742 local terms energy: -416.776625 where: bonds (distance) C4'-P energy: -84.603 bonds (distance) P-C4' energy: -80.774 flat angles C4'-P-C4' energy: -91.859 flat angles P-C4'-P energy: -43.538 tors. eta vs tors. theta energy: -116.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1301.523689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.523689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.523689 (E_RNA) where: Base-Base interactions energy: -891.033 where: short stacking energy: -357.393 Base-Backbone interact. energy: -3.077 local terms energy: -407.414047 where: bonds (distance) C4'-P energy: -82.337 bonds (distance) P-C4' energy: -81.925 flat angles C4'-P-C4' energy: -84.187 flat angles P-C4'-P energy: -46.217 tors. eta vs tors. theta energy: -112.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1156.947864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.947864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.947864 (E_RNA) where: Base-Base interactions energy: -774.327 where: short stacking energy: -338.451 Base-Backbone interact. energy: 0.262 local terms energy: -382.882419 where: bonds (distance) C4'-P energy: -67.885 bonds (distance) P-C4' energy: -73.118 flat angles C4'-P-C4' energy: -90.226 flat angles P-C4'-P energy: -53.386 tors. eta vs tors. theta energy: -98.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1204.237933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.237933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.237933 (E_RNA) where: Base-Base interactions energy: -833.977 where: short stacking energy: -352.844 Base-Backbone interact. energy: -2.252 local terms energy: -368.008287 where: bonds (distance) C4'-P energy: -53.517 bonds (distance) P-C4' energy: -72.482 flat angles C4'-P-C4' energy: -88.569 flat angles P-C4'-P energy: -49.520 tors. eta vs tors. theta energy: -103.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1002.464211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.464211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.464211 (E_RNA) where: Base-Base interactions energy: -650.043 where: short stacking energy: -322.329 Base-Backbone interact. energy: 1.319 local terms energy: -353.739990 where: bonds (distance) C4'-P energy: -77.306 bonds (distance) P-C4' energy: -67.918 flat angles C4'-P-C4' energy: -69.609 flat angles P-C4'-P energy: -56.939 tors. eta vs tors. theta energy: -81.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -836.154939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.154939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.154939 (E_RNA) where: Base-Base interactions energy: -538.036 where: short stacking energy: -266.543 Base-Backbone interact. energy: 1.547 local terms energy: -299.665712 where: bonds (distance) C4'-P energy: -59.641 bonds (distance) P-C4' energy: -66.902 flat angles C4'-P-C4' energy: -72.464 flat angles P-C4'-P energy: -43.453 tors. eta vs tors. theta energy: -57.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -799.152160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.152160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.152160 (E_RNA) where: Base-Base interactions energy: -506.690 where: short stacking energy: -239.066 Base-Backbone interact. energy: -2.478 local terms energy: -289.983639 where: bonds (distance) C4'-P energy: -74.716 bonds (distance) P-C4' energy: -69.951 flat angles C4'-P-C4' energy: -53.410 flat angles P-C4'-P energy: -37.786 tors. eta vs tors. theta energy: -54.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -658.697504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.697504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.697504 (E_RNA) where: Base-Base interactions energy: -384.910 where: short stacking energy: -217.721 Base-Backbone interact. energy: -1.566 local terms energy: -272.221622 where: bonds (distance) C4'-P energy: -65.181 bonds (distance) P-C4' energy: -48.284 flat angles C4'-P-C4' energy: -77.794 flat angles P-C4'-P energy: -34.889 tors. eta vs tors. theta energy: -46.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -392.203311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.203311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.203311 (E_RNA) where: Base-Base interactions energy: -178.756 where: short stacking energy: -122.028 Base-Backbone interact. energy: -2.287 local terms energy: -211.159978 where: bonds (distance) C4'-P energy: -57.353 bonds (distance) P-C4' energy: -60.513 flat angles C4'-P-C4' energy: -57.229 flat angles P-C4'-P energy: -38.528 tors. eta vs tors. theta energy: 2.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1379.469246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.469246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.469246 (E_RNA) where: Base-Base interactions energy: -958.399 where: short stacking energy: -409.840 Base-Backbone interact. energy: 0.312 local terms energy: -421.382366 where: bonds (distance) C4'-P energy: -73.511 bonds (distance) P-C4' energy: -80.154 flat angles C4'-P-C4' energy: -97.850 flat angles P-C4'-P energy: -53.428 tors. eta vs tors. theta energy: -116.439 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: 2 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1312.723441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.723441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.723441 (E_RNA) where: Base-Base interactions energy: -918.388 where: short stacking energy: -383.309 Base-Backbone interact. energy: -1.070 local terms energy: -393.266015 where: bonds (distance) C4'-P energy: -71.112 bonds (distance) P-C4' energy: -76.640 flat angles C4'-P-C4' energy: -90.564 flat angles P-C4'-P energy: -49.165 tors. eta vs tors. theta energy: -105.784 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: 7 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1266.149430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.149430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.149430 (E_RNA) where: Base-Base interactions energy: -873.891 where: short stacking energy: -401.383 Base-Backbone interact. energy: -2.663 local terms energy: -389.595545 where: bonds (distance) C4'-P energy: -65.402 bonds (distance) P-C4' energy: -65.254 flat angles C4'-P-C4' energy: -75.909 flat angles P-C4'-P energy: -62.857 tors. eta vs tors. theta energy: -120.174 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: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1224.040815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.040815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.040815 (E_RNA) where: Base-Base interactions energy: -841.357 where: short stacking energy: -375.810 Base-Backbone interact. energy: 0.143 local terms energy: -382.827504 where: bonds (distance) C4'-P energy: -59.604 bonds (distance) P-C4' energy: -71.289 flat angles C4'-P-C4' energy: -79.662 flat angles P-C4'-P energy: -62.004 tors. eta vs tors. theta energy: -110.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1124.012129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.012129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.012129 (E_RNA) where: Base-Base interactions energy: -767.984 where: short stacking energy: -343.460 Base-Backbone interact. energy: -2.262 local terms energy: -353.766035 where: bonds (distance) C4'-P energy: -51.278 bonds (distance) P-C4' energy: -72.094 flat angles C4'-P-C4' energy: -84.833 flat angles P-C4'-P energy: -44.752 tors. eta vs tors. theta energy: -100.809 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: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -917.597791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.597791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.597791 (E_RNA) where: Base-Base interactions energy: -591.774 where: short stacking energy: -280.515 Base-Backbone interact. energy: -1.586 local terms energy: -324.237167 where: bonds (distance) C4'-P energy: -75.015 bonds (distance) P-C4' energy: -67.759 flat angles C4'-P-C4' energy: -76.625 flat angles P-C4'-P energy: -44.228 tors. eta vs tors. theta energy: -60.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -799.619664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.619664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.619664 (E_RNA) where: Base-Base interactions energy: -501.875 where: short stacking energy: -219.304 Base-Backbone interact. energy: 1.001 local terms energy: -298.745748 where: bonds (distance) C4'-P energy: -62.115 bonds (distance) P-C4' energy: -70.696 flat angles C4'-P-C4' energy: -77.683 flat angles P-C4'-P energy: -42.856 tors. eta vs tors. theta energy: -45.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -815.358833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.358833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.358833 (E_RNA) where: Base-Base interactions energy: -540.159 where: short stacking energy: -242.609 Base-Backbone interact. energy: 2.732 local terms energy: -277.932010 where: bonds (distance) C4'-P energy: -57.504 bonds (distance) P-C4' energy: -70.313 flat angles C4'-P-C4' energy: -69.483 flat angles P-C4'-P energy: -26.014 tors. eta vs tors. theta energy: -54.617 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: 6 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -703.520420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.520420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.520420 (E_RNA) where: Base-Base interactions energy: -431.531 where: short stacking energy: -220.060 Base-Backbone interact. energy: -0.079 local terms energy: -271.910716 where: bonds (distance) C4'-P energy: -49.667 bonds (distance) P-C4' energy: -74.886 flat angles C4'-P-C4' energy: -68.181 flat angles P-C4'-P energy: -35.607 tors. eta vs tors. theta energy: -43.570 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: 5 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -370.095081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.095081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.095081 (E_RNA) where: Base-Base interactions energy: -158.670 where: short stacking energy: -95.159 Base-Backbone interact. energy: -1.519 local terms energy: -209.906525 where: bonds (distance) C4'-P energy: -51.965 bonds (distance) P-C4' energy: -77.169 flat angles C4'-P-C4' energy: -56.761 flat angles P-C4'-P energy: -32.703 tors. eta vs tors. theta energy: 8.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1366.137477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.137477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.137477 (E_RNA) where: Base-Base interactions energy: -934.087 where: short stacking energy: -411.307 Base-Backbone interact. energy: -1.517 local terms energy: -430.533693 where: bonds (distance) C4'-P energy: -79.004 bonds (distance) P-C4' energy: -79.190 flat angles C4'-P-C4' energy: -94.640 flat angles P-C4'-P energy: -62.623 tors. eta vs tors. theta energy: -115.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1329.921381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.921381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.921381 (E_RNA) where: Base-Base interactions energy: -911.776 where: short stacking energy: -396.783 Base-Backbone interact. energy: -2.071 local terms energy: -416.074293 where: bonds (distance) C4'-P energy: -78.080 bonds (distance) P-C4' energy: -75.133 flat angles C4'-P-C4' energy: -91.389 flat angles P-C4'-P energy: -52.787 tors. eta vs tors. theta energy: -118.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1257.396307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.396307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.396307 (E_RNA) where: Base-Base interactions energy: -859.390 where: short stacking energy: -393.037 Base-Backbone interact. energy: -1.842 local terms energy: -396.164566 where: bonds (distance) C4'-P energy: -77.761 bonds (distance) P-C4' energy: -79.150 flat angles C4'-P-C4' energy: -88.632 flat angles P-C4'-P energy: -38.068 tors. eta vs tors. theta energy: -112.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1232.577343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.577343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.577343 (E_RNA) where: Base-Base interactions energy: -840.728 where: short stacking energy: -374.532 Base-Backbone interact. energy: -4.548 local terms energy: -387.301092 where: bonds (distance) C4'-P energy: -84.941 bonds (distance) P-C4' energy: -62.423 flat angles C4'-P-C4' energy: -85.812 flat angles P-C4'-P energy: -45.900 tors. eta vs tors. theta energy: -108.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1097.646180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.646180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.646180 (E_RNA) where: Base-Base interactions energy: -736.805 where: short stacking energy: -335.649 Base-Backbone interact. energy: -0.946 local terms energy: -359.894217 where: bonds (distance) C4'-P energy: -62.489 bonds (distance) P-C4' energy: -78.178 flat angles C4'-P-C4' energy: -71.087 flat angles P-C4'-P energy: -56.343 tors. eta vs tors. theta energy: -91.797 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: 1 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -924.808897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.808897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.808897 (E_RNA) where: Base-Base interactions energy: -590.389 where: short stacking energy: -261.073 Base-Backbone interact. energy: -0.770 local terms energy: -333.649993 where: bonds (distance) C4'-P energy: -72.244 bonds (distance) P-C4' energy: -78.420 flat angles C4'-P-C4' energy: -76.480 flat angles P-C4'-P energy: -40.785 tors. eta vs tors. theta energy: -65.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -870.954688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.954688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.954688 (E_RNA) where: Base-Base interactions energy: -570.102 where: short stacking energy: -261.885 Base-Backbone interact. energy: -2.903 local terms energy: -297.950023 where: bonds (distance) C4'-P energy: -72.492 bonds (distance) P-C4' energy: -70.400 flat angles C4'-P-C4' energy: -59.400 flat angles P-C4'-P energy: -34.240 tors. eta vs tors. theta energy: -61.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -779.738216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.738216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.738216 (E_RNA) where: Base-Base interactions energy: -508.182 where: short stacking energy: -249.174 Base-Backbone interact. energy: -2.531 local terms energy: -269.025004 where: bonds (distance) C4'-P energy: -47.560 bonds (distance) P-C4' energy: -65.226 flat angles C4'-P-C4' energy: -59.345 flat angles P-C4'-P energy: -44.627 tors. eta vs tors. theta energy: -52.268 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: 6 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -728.983279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.983279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.983279 (E_RNA) where: Base-Base interactions energy: -452.840 where: short stacking energy: -224.923 Base-Backbone interact. energy: 2.438 local terms energy: -278.580979 where: bonds (distance) C4'-P energy: -59.324 bonds (distance) P-C4' energy: -61.756 flat angles C4'-P-C4' energy: -60.209 flat angles P-C4'-P energy: -44.375 tors. eta vs tors. theta energy: -52.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -391.787458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.787458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.787458 (E_RNA) where: Base-Base interactions energy: -191.771 where: short stacking energy: -132.694 Base-Backbone interact. energy: 0.343 local terms energy: -200.359279 where: bonds (distance) C4'-P energy: -66.791 bonds (distance) P-C4' energy: -59.819 flat angles C4'-P-C4' energy: -47.983 flat angles P-C4'-P energy: -24.831 tors. eta vs tors. theta energy: -0.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1375.067665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.067665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.067665 (E_RNA) where: Base-Base interactions energy: -955.384 where: short stacking energy: -420.864 Base-Backbone interact. energy: -0.778 local terms energy: -418.906382 where: bonds (distance) C4'-P energy: -67.039 bonds (distance) P-C4' energy: -82.215 flat angles C4'-P-C4' energy: -88.691 flat angles P-C4'-P energy: -65.136 tors. eta vs tors. theta energy: -115.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1341.154263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.154263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.154263 (E_RNA) where: Base-Base interactions energy: -934.067 where: short stacking energy: -391.563 Base-Backbone interact. energy: -2.721 local terms energy: -404.365884 where: bonds (distance) C4'-P energy: -63.653 bonds (distance) P-C4' energy: -79.705 flat angles C4'-P-C4' energy: -83.140 flat angles P-C4'-P energy: -65.443 tors. eta vs tors. theta energy: -112.424 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: 7 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1269.676408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.676408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.676408 (E_RNA) where: Base-Base interactions energy: -858.217 where: short stacking energy: -373.684 Base-Backbone interact. energy: -1.216 local terms energy: -410.244035 where: bonds (distance) C4'-P energy: -78.586 bonds (distance) P-C4' energy: -74.288 flat angles C4'-P-C4' energy: -81.020 flat angles P-C4'-P energy: -64.050 tors. eta vs tors. theta energy: -112.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1198.673775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.673775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.673775 (E_RNA) where: Base-Base interactions energy: -810.626 where: short stacking energy: -351.784 Base-Backbone interact. energy: -1.895 local terms energy: -386.153068 where: bonds (distance) C4'-P energy: -67.541 bonds (distance) P-C4' energy: -71.598 flat angles C4'-P-C4' energy: -78.902 flat angles P-C4'-P energy: -54.693 tors. eta vs tors. theta energy: -113.420 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: 9 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1074.847899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.847899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.847899 (E_RNA) where: Base-Base interactions energy: -715.850 where: short stacking energy: -325.938 Base-Backbone interact. energy: -1.634 local terms energy: -357.363712 where: bonds (distance) C4'-P energy: -59.532 bonds (distance) P-C4' energy: -72.352 flat angles C4'-P-C4' energy: -83.093 flat angles P-C4'-P energy: -57.236 tors. eta vs tors. theta energy: -85.150 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: 1 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -961.498763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.498763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.498763 (E_RNA) where: Base-Base interactions energy: -641.558 where: short stacking energy: -279.027 Base-Backbone interact. energy: -2.462 local terms energy: -317.478172 where: bonds (distance) C4'-P energy: -72.695 bonds (distance) P-C4' energy: -63.819 flat angles C4'-P-C4' energy: -72.851 flat angles P-C4'-P energy: -38.083 tors. eta vs tors. theta energy: -70.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -848.893193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.893193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.893193 (E_RNA) where: Base-Base interactions energy: -566.464 where: short stacking energy: -270.589 Base-Backbone interact. energy: 2.279 local terms energy: -284.707873 where: bonds (distance) C4'-P energy: -68.337 bonds (distance) P-C4' energy: -50.467 flat angles C4'-P-C4' energy: -69.962 flat angles P-C4'-P energy: -36.312 tors. eta vs tors. theta energy: -59.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -802.674108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.674108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.674108 (E_RNA) where: Base-Base interactions energy: -511.218 where: short stacking energy: -226.012 Base-Backbone interact. energy: 0.749 local terms energy: -292.204523 where: bonds (distance) C4'-P energy: -74.888 bonds (distance) P-C4' energy: -58.484 flat angles C4'-P-C4' energy: -70.426 flat angles P-C4'-P energy: -46.497 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: 6 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -719.559880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.559880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.559880 (E_RNA) where: Base-Base interactions energy: -441.824 where: short stacking energy: -214.715 Base-Backbone interact. energy: 8.671 local terms energy: -286.406132 where: bonds (distance) C4'-P energy: -60.407 bonds (distance) P-C4' energy: -64.617 flat angles C4'-P-C4' energy: -57.128 flat angles P-C4'-P energy: -50.226 tors. eta vs tors. theta energy: -54.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -378.473509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.473509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.473509 (E_RNA) where: Base-Base interactions energy: -178.235 where: short stacking energy: -111.096 Base-Backbone interact. energy: 8.588 local terms energy: -208.826700 where: bonds (distance) C4'-P energy: -52.341 bonds (distance) P-C4' energy: -67.235 flat angles C4'-P-C4' energy: -51.832 flat angles P-C4'-P energy: -29.903 tors. eta vs tors. theta energy: -7.514 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: 1, replica: 3 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1369.579004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.579004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.579004 (E_RNA) where: Base-Base interactions energy: -947.701 where: short stacking energy: -419.896 Base-Backbone interact. energy: -0.997 local terms energy: -420.881173 where: bonds (distance) C4'-P energy: -81.046 bonds (distance) P-C4' energy: -82.459 flat angles C4'-P-C4' energy: -83.960 flat angles P-C4'-P energy: -59.811 tors. eta vs tors. theta energy: -113.604 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: 2, replica: 2 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1313.757342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.757342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.757342 (E_RNA) where: Base-Base interactions energy: -887.167 where: short stacking energy: -385.247 Base-Backbone interact. energy: -1.603 local terms energy: -424.987085 where: bonds (distance) C4'-P energy: -78.336 bonds (distance) P-C4' energy: -86.594 flat angles C4'-P-C4' energy: -82.643 flat angles P-C4'-P energy: -56.304 tors. eta vs tors. theta energy: -121.110 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: 124 Temperature: 1.000000 Total energy: -1288.328712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.328712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.328712 (E_RNA) where: Base-Base interactions energy: -884.363 where: short stacking energy: -409.264 Base-Backbone interact. energy: 0.245 local terms energy: -404.210221 where: bonds (distance) C4'-P energy: -61.746 bonds (distance) P-C4' energy: -66.733 flat angles C4'-P-C4' energy: -94.032 flat angles P-C4'-P energy: -54.950 tors. eta vs tors. theta energy: -126.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1229.676933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.676933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.676933 (E_RNA) where: Base-Base interactions energy: -849.817 where: short stacking energy: -364.366 Base-Backbone interact. energy: -0.519 local terms energy: -379.341081 where: bonds (distance) C4'-P energy: -64.279 bonds (distance) P-C4' energy: -70.729 flat angles C4'-P-C4' energy: -90.571 flat angles P-C4'-P energy: -52.110 tors. eta vs tors. theta energy: -101.652 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: 9 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1123.068412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.068412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.068412 (E_RNA) where: Base-Base interactions energy: -750.273 where: short stacking energy: -327.534 Base-Backbone interact. energy: -2.574 local terms energy: -370.222033 where: bonds (distance) C4'-P energy: -79.594 bonds (distance) P-C4' energy: -68.712 flat angles C4'-P-C4' energy: -76.486 flat angles P-C4'-P energy: -63.266 tors. eta vs tors. theta energy: -82.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -948.124130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.124130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.124130 (E_RNA) where: Base-Base interactions energy: -613.903 where: short stacking energy: -279.309 Base-Backbone interact. energy: 0.837 local terms energy: -335.057888 where: bonds (distance) C4'-P energy: -66.298 bonds (distance) P-C4' energy: -72.271 flat angles C4'-P-C4' energy: -75.343 flat angles P-C4'-P energy: -50.230 tors. eta vs tors. theta energy: -70.916 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: 8 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -917.951124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.951124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.951124 (E_RNA) where: Base-Base interactions energy: -589.796 where: short stacking energy: -283.065 Base-Backbone interact. energy: -1.310 local terms energy: -326.845814 where: bonds (distance) C4'-P energy: -63.170 bonds (distance) P-C4' energy: -65.081 flat angles C4'-P-C4' energy: -79.692 flat angles P-C4'-P energy: -49.064 tors. eta vs tors. theta energy: -69.839 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: 10 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -805.978288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.978288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.978288 (E_RNA) where: Base-Base interactions energy: -513.302 where: short stacking energy: -219.382 Base-Backbone interact. energy: -1.090 local terms energy: -291.586366 where: bonds (distance) C4'-P energy: -69.179 bonds (distance) P-C4' energy: -66.745 flat angles C4'-P-C4' energy: -62.848 flat angles P-C4'-P energy: -48.609 tors. eta vs tors. theta energy: -44.206 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: 9, replica: 6 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -793.229613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.229613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.229613 (E_RNA) where: Base-Base interactions energy: -508.550 where: short stacking energy: -245.157 Base-Backbone interact. energy: -1.325 local terms energy: -283.354982 where: bonds (distance) C4'-P energy: -55.921 bonds (distance) P-C4' energy: -69.406 flat angles C4'-P-C4' energy: -60.425 flat angles P-C4'-P energy: -33.996 tors. eta vs tors. theta energy: -63.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -399.937085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.937085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.937085 (E_RNA) where: Base-Base interactions energy: -195.634 where: short stacking energy: -107.684 Base-Backbone interact. energy: 3.469 local terms energy: -207.772366 where: bonds (distance) C4'-P energy: -72.385 bonds (distance) P-C4' energy: -75.158 flat angles C4'-P-C4' energy: -37.230 flat angles P-C4'-P energy: -33.328 tors. eta vs tors. theta energy: 10.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1373.053449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.053449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.053449 (E_RNA) where: Base-Base interactions energy: -930.510 where: short stacking energy: -395.313 Base-Backbone interact. energy: -2.081 local terms energy: -440.462940 where: bonds (distance) C4'-P energy: -75.698 bonds (distance) P-C4' energy: -84.370 flat angles C4'-P-C4' energy: -90.113 flat angles P-C4'-P energy: -69.239 tors. eta vs tors. theta energy: -121.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1312.345002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.345002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.345002 (E_RNA) where: Base-Base interactions energy: -908.450 where: short stacking energy: -392.614 Base-Backbone interact. energy: -0.824 local terms energy: -403.070594 where: bonds (distance) C4'-P energy: -72.315 bonds (distance) P-C4' energy: -74.067 flat angles C4'-P-C4' energy: -90.644 flat angles P-C4'-P energy: -50.763 tors. eta vs tors. theta energy: -115.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1267.929900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.929900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.929900 (E_RNA) where: Base-Base interactions energy: -866.864 where: short stacking energy: -395.443 Base-Backbone interact. energy: -0.687 local terms energy: -400.379010 where: bonds (distance) C4'-P energy: -67.702 bonds (distance) P-C4' energy: -69.940 flat angles C4'-P-C4' energy: -83.241 flat angles P-C4'-P energy: -69.318 tors. eta vs tors. theta energy: -110.179 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: 4 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1211.544778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.544778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.544778 (E_RNA) where: Base-Base interactions energy: -804.756 where: short stacking energy: -363.212 Base-Backbone interact. energy: 0.487 local terms energy: -407.275423 where: bonds (distance) C4'-P energy: -77.285 bonds (distance) P-C4' energy: -84.646 flat angles C4'-P-C4' energy: -75.682 flat angles P-C4'-P energy: -53.563 tors. eta vs tors. theta energy: -116.100 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: 9 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1116.884052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.884052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.884052 (E_RNA) where: Base-Base interactions energy: -753.551 where: short stacking energy: -319.547 Base-Backbone interact. energy: -0.992 local terms energy: -362.340361 where: bonds (distance) C4'-P energy: -72.932 bonds (distance) P-C4' energy: -63.634 flat angles C4'-P-C4' energy: -81.947 flat angles P-C4'-P energy: -46.881 tors. eta vs tors. theta energy: -96.946 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: 8 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -873.506730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.506730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.506730 (E_RNA) where: Base-Base interactions energy: -547.217 where: short stacking energy: -247.443 Base-Backbone interact. energy: 0.379 local terms energy: -326.668928 where: bonds (distance) C4'-P energy: -66.591 bonds (distance) P-C4' energy: -60.931 flat angles C4'-P-C4' energy: -82.519 flat angles P-C4'-P energy: -50.488 tors. eta vs tors. theta energy: -66.140 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: 1 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -899.319601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.319601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.319601 (E_RNA) where: Base-Base interactions energy: -601.779 where: short stacking energy: -285.496 Base-Backbone interact. energy: 2.403 local terms energy: -299.943975 where: bonds (distance) C4'-P energy: -58.128 bonds (distance) P-C4' energy: -63.543 flat angles C4'-P-C4' energy: -63.450 flat angles P-C4'-P energy: -41.593 tors. eta vs tors. theta energy: -73.230 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: 6 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -825.215812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.215812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.215812 (E_RNA) where: Base-Base interactions energy: -532.313 where: short stacking energy: -260.234 Base-Backbone interact. energy: -0.892 local terms energy: -292.010901 where: bonds (distance) C4'-P energy: -58.199 bonds (distance) P-C4' energy: -48.087 flat angles C4'-P-C4' energy: -79.680 flat angles P-C4'-P energy: -46.895 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: 9, replica: 10 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -774.074067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.074067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.074067 (E_RNA) where: Base-Base interactions energy: -519.483 where: short stacking energy: -230.303 Base-Backbone interact. energy: -0.778 local terms energy: -253.813290 where: bonds (distance) C4'-P energy: -62.738 bonds (distance) P-C4' energy: -65.849 flat angles C4'-P-C4' energy: -53.046 flat angles P-C4'-P energy: -36.411 tors. eta vs tors. theta energy: -35.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -483.637344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.637344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.637344 (E_RNA) where: Base-Base interactions energy: -219.335 where: short stacking energy: -135.342 Base-Backbone interact. energy: 0.039 local terms energy: -264.341288 where: bonds (distance) C4'-P energy: -67.691 bonds (distance) P-C4' energy: -75.090 flat angles C4'-P-C4' energy: -65.018 flat angles P-C4'-P energy: -43.012 tors. eta vs tors. theta energy: -13.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1387.684779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.684779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.684779 (E_RNA) where: Base-Base interactions energy: -955.084 where: short stacking energy: -422.622 Base-Backbone interact. energy: -1.231 local terms energy: -431.369948 where: bonds (distance) C4'-P energy: -73.321 bonds (distance) P-C4' energy: -84.823 flat angles C4'-P-C4' energy: -88.692 flat angles P-C4'-P energy: -65.430 tors. eta vs tors. theta energy: -119.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1300.875222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.875222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.875222 (E_RNA) where: Base-Base interactions energy: -892.939 where: short stacking energy: -379.003 Base-Backbone interact. energy: -0.572 local terms energy: -407.363607 where: bonds (distance) C4'-P energy: -75.832 bonds (distance) P-C4' energy: -82.806 flat angles C4'-P-C4' energy: -78.765 flat angles P-C4'-P energy: -63.431 tors. eta vs tors. theta energy: -106.529 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: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1263.849135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.849135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.849135 (E_RNA) where: Base-Base interactions energy: -852.235 where: short stacking energy: -405.557 Base-Backbone interact. energy: -0.816 local terms energy: -410.798550 where: bonds (distance) C4'-P energy: -73.036 bonds (distance) P-C4' energy: -82.982 flat angles C4'-P-C4' energy: -83.091 flat angles P-C4'-P energy: -55.670 tors. eta vs tors. theta energy: -116.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1209.489721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.489721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.489721 (E_RNA) where: Base-Base interactions energy: -845.598 where: short stacking energy: -353.753 Base-Backbone interact. energy: -1.747 local terms energy: -362.144678 where: bonds (distance) C4'-P energy: -54.363 bonds (distance) P-C4' energy: -65.661 flat angles C4'-P-C4' energy: -80.359 flat angles P-C4'-P energy: -66.162 tors. eta vs tors. theta energy: -95.598 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: 9 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1195.406184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.406184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.406184 (E_RNA) where: Base-Base interactions energy: -805.955 where: short stacking energy: -360.744 Base-Backbone interact. energy: -1.201 local terms energy: -388.250159 where: bonds (distance) C4'-P energy: -76.474 bonds (distance) P-C4' energy: -73.749 flat angles C4'-P-C4' energy: -78.276 flat angles P-C4'-P energy: -60.813 tors. eta vs tors. theta energy: -98.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -871.075543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.075543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.075543 (E_RNA) where: Base-Base interactions energy: -559.518 where: short stacking energy: -251.706 Base-Backbone interact. energy: -1.104 local terms energy: -310.452833 where: bonds (distance) C4'-P energy: -66.681 bonds (distance) P-C4' energy: -64.119 flat angles C4'-P-C4' energy: -73.048 flat angles P-C4'-P energy: -50.533 tors. eta vs tors. theta energy: -56.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -870.935572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.935572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.935572 (E_RNA) where: Base-Base interactions energy: -576.398 where: short stacking energy: -252.254 Base-Backbone interact. energy: 1.207 local terms energy: -295.744005 where: bonds (distance) C4'-P energy: -53.267 bonds (distance) P-C4' energy: -58.789 flat angles C4'-P-C4' energy: -82.472 flat angles P-C4'-P energy: -44.055 tors. eta vs tors. theta energy: -57.161 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: 6 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -857.286406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.286406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.286406 (E_RNA) where: Base-Base interactions energy: -544.649 where: short stacking energy: -272.709 Base-Backbone interact. energy: -3.563 local terms energy: -309.074587 where: bonds (distance) C4'-P energy: -64.696 bonds (distance) P-C4' energy: -66.290 flat angles C4'-P-C4' energy: -69.468 flat angles P-C4'-P energy: -39.150 tors. eta vs tors. theta energy: -69.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -707.693274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.693274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.693274 (E_RNA) where: Base-Base interactions energy: -436.440 where: short stacking energy: -194.560 Base-Backbone interact. energy: -2.188 local terms energy: -269.065424 where: bonds (distance) C4'-P energy: -63.966 bonds (distance) P-C4' energy: -71.487 flat angles C4'-P-C4' energy: -56.986 flat angles P-C4'-P energy: -44.897 tors. eta vs tors. theta energy: -31.729 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: 5 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -453.032403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.032403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.032403 (E_RNA) where: Base-Base interactions energy: -228.173 where: short stacking energy: -138.332 Base-Backbone interact. energy: -1.569 local terms energy: -223.289937 where: bonds (distance) C4'-P energy: -58.931 bonds (distance) P-C4' energy: -66.195 flat angles C4'-P-C4' energy: -54.076 flat angles P-C4'-P energy: -30.766 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: 1, replica: 3 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1377.317265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.317265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.317265 (E_RNA) where: Base-Base interactions energy: -947.685 where: short stacking energy: -399.034 Base-Backbone interact. energy: -1.626 local terms energy: -428.006447 where: bonds (distance) C4'-P energy: -78.251 bonds (distance) P-C4' energy: -84.979 flat angles C4'-P-C4' energy: -96.647 flat angles P-C4'-P energy: -65.101 tors. eta vs tors. theta energy: -103.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1300.651992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.651992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.651992 (E_RNA) where: Base-Base interactions energy: -885.782 where: short stacking energy: -409.416 Base-Backbone interact. energy: -1.067 local terms energy: -413.803483 where: bonds (distance) C4'-P energy: -77.998 bonds (distance) P-C4' energy: -71.813 flat angles C4'-P-C4' energy: -84.009 flat angles P-C4'-P energy: -56.121 tors. eta vs tors. theta energy: -123.863 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: 2 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1283.013567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.013567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.013567 (E_RNA) where: Base-Base interactions energy: -881.626 where: short stacking energy: -378.047 Base-Backbone interact. energy: -2.811 local terms energy: -398.576719 where: bonds (distance) C4'-P energy: -69.175 bonds (distance) P-C4' energy: -82.835 flat angles C4'-P-C4' energy: -84.781 flat angles P-C4'-P energy: -53.813 tors. eta vs tors. theta energy: -107.972 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: 4, replica: 4 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1218.295312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.295312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.295312 (E_RNA) where: Base-Base interactions energy: -817.598 where: short stacking energy: -351.569 Base-Backbone interact. energy: -1.077 local terms energy: -399.621230 where: bonds (distance) C4'-P energy: -63.270 bonds (distance) P-C4' energy: -77.131 flat angles C4'-P-C4' energy: -91.856 flat angles P-C4'-P energy: -59.203 tors. eta vs tors. theta energy: -108.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1126.336767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.336767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.336767 (E_RNA) where: Base-Base interactions energy: -773.175 where: short stacking energy: -333.367 Base-Backbone interact. energy: -0.893 local terms energy: -352.268216 where: bonds (distance) C4'-P energy: -63.022 bonds (distance) P-C4' energy: -75.502 flat angles C4'-P-C4' energy: -81.267 flat angles P-C4'-P energy: -36.036 tors. eta vs tors. theta energy: -96.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -870.307403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.307403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.307403 (E_RNA) where: Base-Base interactions energy: -568.032 where: short stacking energy: -280.580 Base-Backbone interact. energy: -3.566 local terms energy: -298.708850 where: bonds (distance) C4'-P energy: -52.169 bonds (distance) P-C4' energy: -70.075 flat angles C4'-P-C4' energy: -70.281 flat angles P-C4'-P energy: -46.076 tors. eta vs tors. theta energy: -60.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -822.765670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.765670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.765670 (E_RNA) where: Base-Base interactions energy: -533.815 where: short stacking energy: -252.370 Base-Backbone interact. energy: -1.192 local terms energy: -287.758207 where: bonds (distance) C4'-P energy: -67.577 bonds (distance) P-C4' energy: -54.836 flat angles C4'-P-C4' energy: -66.676 flat angles P-C4'-P energy: -44.453 tors. eta vs tors. theta energy: -54.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -825.883740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.883740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.883740 (E_RNA) where: Base-Base interactions energy: -520.136 where: short stacking energy: -233.248 Base-Backbone interact. energy: -0.961 local terms energy: -304.786572 where: bonds (distance) C4'-P energy: -65.334 bonds (distance) P-C4' energy: -78.973 flat angles C4'-P-C4' energy: -65.460 flat angles P-C4'-P energy: -38.703 tors. eta vs tors. theta energy: -56.317 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: 9, replica: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -695.035845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.035845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.035845 (E_RNA) where: Base-Base interactions energy: -426.255 where: short stacking energy: -193.401 Base-Backbone interact. energy: 0.670 local terms energy: -269.451018 where: bonds (distance) C4'-P energy: -53.999 bonds (distance) P-C4' energy: -72.905 flat angles C4'-P-C4' energy: -56.634 flat angles P-C4'-P energy: -45.065 tors. eta vs tors. theta energy: -40.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -409.474367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.474367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.474367 (E_RNA) where: Base-Base interactions energy: -184.967 where: short stacking energy: -106.784 Base-Backbone interact. energy: -0.367 local terms energy: -224.140699 where: bonds (distance) C4'-P energy: -68.575 bonds (distance) P-C4' energy: -58.059 flat angles C4'-P-C4' energy: -60.750 flat angles P-C4'-P energy: -37.571 tors. eta vs tors. theta energy: 0.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1347.354252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.354252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.354252 (E_RNA) where: Base-Base interactions energy: -925.346 where: short stacking energy: -411.663 Base-Backbone interact. energy: -0.397 local terms energy: -421.610987 where: bonds (distance) C4'-P energy: -73.071 bonds (distance) P-C4' energy: -83.402 flat angles C4'-P-C4' energy: -91.139 flat angles P-C4'-P energy: -58.598 tors. eta vs tors. theta energy: -115.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1298.978575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.978575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.978575 (E_RNA) where: Base-Base interactions energy: -885.831 where: short stacking energy: -411.340 Base-Backbone interact. energy: 0.018 local terms energy: -413.165567 where: bonds (distance) C4'-P energy: -79.633 bonds (distance) P-C4' energy: -73.344 flat angles C4'-P-C4' energy: -82.752 flat angles P-C4'-P energy: -54.716 tors. eta vs tors. theta energy: -122.720 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: 2 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1291.405133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.405133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.405133 (E_RNA) where: Base-Base interactions energy: -889.053 where: short stacking energy: -389.287 Base-Backbone interact. energy: -1.577 local terms energy: -400.774737 where: bonds (distance) C4'-P energy: -63.367 bonds (distance) P-C4' energy: -86.750 flat angles C4'-P-C4' energy: -87.550 flat angles P-C4'-P energy: -50.701 tors. eta vs tors. theta energy: -112.406 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: 4, replica: 4 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1250.028931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.028931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.028931 (E_RNA) where: Base-Base interactions energy: -846.905 where: short stacking energy: -374.701 Base-Backbone interact. energy: -2.879 local terms energy: -400.244277 where: bonds (distance) C4'-P energy: -71.187 bonds (distance) P-C4' energy: -64.566 flat angles C4'-P-C4' energy: -88.760 flat angles P-C4'-P energy: -62.136 tors. eta vs tors. theta energy: -113.595 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: 5, replica: 9 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1102.992805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.992805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.992805 (E_RNA) where: Base-Base interactions energy: -751.048 where: short stacking energy: -341.393 Base-Backbone interact. energy: 1.713 local terms energy: -353.657820 where: bonds (distance) C4'-P energy: -68.933 bonds (distance) P-C4' energy: -63.235 flat angles C4'-P-C4' energy: -72.783 flat angles P-C4'-P energy: -57.364 tors. eta vs tors. theta energy: -91.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -824.046767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.046767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.046767 (E_RNA) where: Base-Base interactions energy: -521.772 where: short stacking energy: -248.952 Base-Backbone interact. energy: -2.786 local terms energy: -299.488053 where: bonds (distance) C4'-P energy: -56.071 bonds (distance) P-C4' energy: -68.421 flat angles C4'-P-C4' energy: -82.512 flat angles P-C4'-P energy: -43.814 tors. eta vs tors. theta energy: -48.670 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: 6 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -845.306167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.306167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.306167 (E_RNA) where: Base-Base interactions energy: -521.102 where: short stacking energy: -264.592 Base-Backbone interact. energy: -1.781 local terms energy: -322.423491 where: bonds (distance) C4'-P energy: -68.951 bonds (distance) P-C4' energy: -61.457 flat angles C4'-P-C4' energy: -78.894 flat angles P-C4'-P energy: -41.554 tors. eta vs tors. theta energy: -71.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -798.208256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.208256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.208256 (E_RNA) where: Base-Base interactions energy: -524.320 where: short stacking energy: -260.616 Base-Backbone interact. energy: -2.682 local terms energy: -271.206330 where: bonds (distance) C4'-P energy: -54.399 bonds (distance) P-C4' energy: -54.830 flat angles C4'-P-C4' energy: -57.831 flat angles P-C4'-P energy: -39.012 tors. eta vs tors. theta energy: -65.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -676.625528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.625528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.625528 (E_RNA) where: Base-Base interactions energy: -405.789 where: short stacking energy: -214.729 Base-Backbone interact. energy: -2.929 local terms energy: -267.907523 where: bonds (distance) C4'-P energy: -57.514 bonds (distance) P-C4' energy: -67.621 flat angles C4'-P-C4' energy: -69.799 flat angles P-C4'-P energy: -34.372 tors. eta vs tors. theta energy: -38.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -423.406689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.406689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.406689 (E_RNA) where: Base-Base interactions energy: -201.457 where: short stacking energy: -110.678 Base-Backbone interact. energy: 3.876 local terms energy: -225.826059 where: bonds (distance) C4'-P energy: -70.283 bonds (distance) P-C4' energy: -74.003 flat angles C4'-P-C4' energy: -54.146 flat angles P-C4'-P energy: -44.886 tors. eta vs tors. theta energy: 17.492 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: 129 Temperature: 0.900000 Total energy: -1362.180050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.180050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.180050 (E_RNA) where: Base-Base interactions energy: -941.811 where: short stacking energy: -407.440 Base-Backbone interact. energy: -0.532 local terms energy: -419.836805 where: bonds (distance) C4'-P energy: -70.776 bonds (distance) P-C4' energy: -81.049 flat angles C4'-P-C4' energy: -92.263 flat angles P-C4'-P energy: -62.183 tors. eta vs tors. theta energy: -113.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1314.269386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.269386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.269386 (E_RNA) where: Base-Base interactions energy: -883.082 where: short stacking energy: -380.746 Base-Backbone interact. energy: -1.905 local terms energy: -429.282330 where: bonds (distance) C4'-P energy: -74.154 bonds (distance) P-C4' energy: -82.705 flat angles C4'-P-C4' energy: -90.605 flat angles P-C4'-P energy: -64.437 tors. eta vs tors. theta energy: -117.382 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: 7 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1289.837971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.837971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.837971 (E_RNA) where: Base-Base interactions energy: -873.004 where: short stacking energy: -392.466 Base-Backbone interact. energy: -0.985 local terms energy: -415.849597 where: bonds (distance) C4'-P energy: -73.558 bonds (distance) P-C4' energy: -84.022 flat angles C4'-P-C4' energy: -85.389 flat angles P-C4'-P energy: -47.936 tors. eta vs tors. theta energy: -124.945 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: 4, replica: 4 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1233.778683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.778683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.778683 (E_RNA) where: Base-Base interactions energy: -832.046 where: short stacking energy: -357.187 Base-Backbone interact. energy: -0.689 local terms energy: -401.043880 where: bonds (distance) C4'-P energy: -81.657 bonds (distance) P-C4' energy: -77.558 flat angles C4'-P-C4' energy: -74.209 flat angles P-C4'-P energy: -48.672 tors. eta vs tors. theta energy: -118.948 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: 9 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1122.932940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.932940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.932940 (E_RNA) where: Base-Base interactions energy: -765.709 where: short stacking energy: -345.362 Base-Backbone interact. energy: -1.792 local terms energy: -355.431447 where: bonds (distance) C4'-P energy: -70.979 bonds (distance) P-C4' energy: -65.796 flat angles C4'-P-C4' energy: -75.808 flat angles P-C4'-P energy: -51.412 tors. eta vs tors. theta energy: -91.436 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: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -870.434486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.434486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.434486 (E_RNA) where: Base-Base interactions energy: -539.026 where: short stacking energy: -271.101 Base-Backbone interact. energy: -1.010 local terms energy: -330.398735 where: bonds (distance) C4'-P energy: -67.753 bonds (distance) P-C4' energy: -69.317 flat angles C4'-P-C4' energy: -68.360 flat angles P-C4'-P energy: -53.586 tors. eta vs tors. theta energy: -71.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -813.958396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.958396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.958396 (E_RNA) where: Base-Base interactions energy: -525.704 where: short stacking energy: -225.175 Base-Backbone interact. energy: 3.577 local terms energy: -291.830556 where: bonds (distance) C4'-P energy: -63.364 bonds (distance) P-C4' energy: -62.096 flat angles C4'-P-C4' energy: -76.526 flat angles P-C4'-P energy: -42.332 tors. eta vs tors. theta energy: -47.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -775.568924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.568924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.568924 (E_RNA) where: Base-Base interactions energy: -487.963 where: short stacking energy: -221.394 Base-Backbone interact. energy: -0.082 local terms energy: -287.523624 where: bonds (distance) C4'-P energy: -61.335 bonds (distance) P-C4' energy: -78.730 flat angles C4'-P-C4' energy: -67.717 flat angles P-C4'-P energy: -34.867 tors. eta vs tors. theta energy: -44.875 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: 129 Temperature: 1.300000 Total energy: -684.328311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.328311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.328311 (E_RNA) where: Base-Base interactions energy: -429.071 where: short stacking energy: -196.575 Base-Backbone interact. energy: 3.579 local terms energy: -258.835871 where: bonds (distance) C4'-P energy: -57.007 bonds (distance) P-C4' energy: -69.581 flat angles C4'-P-C4' energy: -64.721 flat angles P-C4'-P energy: -39.119 tors. eta vs tors. theta energy: -28.407 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: 5 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -356.084439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.084439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.084439 (E_RNA) where: Base-Base interactions energy: -166.423 where: short stacking energy: -109.050 Base-Backbone interact. energy: 2.115 local terms energy: -191.776136 where: bonds (distance) C4'-P energy: -67.364 bonds (distance) P-C4' energy: -55.418 flat angles C4'-P-C4' energy: -41.413 flat angles P-C4'-P energy: -37.430 tors. eta vs tors. theta energy: 9.850 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: 3 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1368.107248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.107248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.107248 (E_RNA) where: Base-Base interactions energy: -949.444 where: short stacking energy: -415.443 Base-Backbone interact. energy: -1.698 local terms energy: -416.965930 where: bonds (distance) C4'-P energy: -78.378 bonds (distance) P-C4' energy: -79.924 flat angles C4'-P-C4' energy: -81.410 flat angles P-C4'-P energy: -59.941 tors. eta vs tors. theta energy: -117.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1305.044587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.044587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.044587 (E_RNA) where: Base-Base interactions energy: -889.665 where: short stacking energy: -398.733 Base-Backbone interact. energy: -2.714 local terms energy: -412.665573 where: bonds (distance) C4'-P energy: -71.795 bonds (distance) P-C4' energy: -72.190 flat angles C4'-P-C4' energy: -90.395 flat angles P-C4'-P energy: -53.321 tors. eta vs tors. theta energy: -124.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1249.764690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.764690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.764690 (E_RNA) where: Base-Base interactions energy: -855.368 where: short stacking energy: -365.927 Base-Backbone interact. energy: -1.183 local terms energy: -393.213821 where: bonds (distance) C4'-P energy: -79.621 bonds (distance) P-C4' energy: -76.868 flat angles C4'-P-C4' energy: -79.196 flat angles P-C4'-P energy: -45.902 tors. eta vs tors. theta energy: -111.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1234.490721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.490721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.490721 (E_RNA) where: Base-Base interactions energy: -867.725 where: short stacking energy: -392.170 Base-Backbone interact. energy: -1.063 local terms energy: -365.702524 where: bonds (distance) C4'-P energy: -58.611 bonds (distance) P-C4' energy: -64.586 flat angles C4'-P-C4' energy: -82.849 flat angles P-C4'-P energy: -45.615 tors. eta vs tors. theta energy: -114.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1145.229960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.229960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.229960 (E_RNA) where: Base-Base interactions energy: -770.053 where: short stacking energy: -337.524 Base-Backbone interact. energy: -0.287 local terms energy: -374.890055 where: bonds (distance) C4'-P energy: -70.203 bonds (distance) P-C4' energy: -77.322 flat angles C4'-P-C4' energy: -86.974 flat angles P-C4'-P energy: -49.922 tors. eta vs tors. theta energy: -90.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -871.219854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.219854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.219854 (E_RNA) where: Base-Base interactions energy: -538.977 where: short stacking energy: -263.466 Base-Backbone interact. energy: -1.639 local terms energy: -330.603710 where: bonds (distance) C4'-P energy: -79.680 bonds (distance) P-C4' energy: -76.027 flat angles C4'-P-C4' energy: -63.847 flat angles P-C4'-P energy: -45.435 tors. eta vs tors. theta energy: -65.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -852.047439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.047439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.047439 (E_RNA) where: Base-Base interactions energy: -545.135 where: short stacking energy: -250.903 Base-Backbone interact. energy: -1.796 local terms energy: -305.116838 where: bonds (distance) C4'-P energy: -66.763 bonds (distance) P-C4' energy: -66.848 flat angles C4'-P-C4' energy: -72.305 flat angles P-C4'-P energy: -42.262 tors. eta vs tors. theta energy: -56.938 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: 8, replica: 1 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -750.097991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.097991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.097991 (E_RNA) where: Base-Base interactions energy: -449.272 where: short stacking energy: -200.790 Base-Backbone interact. energy: -2.510 local terms energy: -298.315871 where: bonds (distance) C4'-P energy: -64.887 bonds (distance) P-C4' energy: -73.275 flat angles C4'-P-C4' energy: -65.723 flat angles P-C4'-P energy: -49.740 tors. eta vs tors. theta energy: -44.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -590.404656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.404656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.404656 (E_RNA) where: Base-Base interactions energy: -322.935 where: short stacking energy: -163.095 Base-Backbone interact. energy: -0.841 local terms energy: -266.628620 where: bonds (distance) C4'-P energy: -72.395 bonds (distance) P-C4' energy: -63.824 flat angles C4'-P-C4' energy: -66.544 flat angles P-C4'-P energy: -39.169 tors. eta vs tors. theta energy: -24.697 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: 5 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -375.711348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.711348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.711348 (E_RNA) where: Base-Base interactions energy: -174.018 where: short stacking energy: -110.923 Base-Backbone interact. energy: -1.285 local terms energy: -200.408498 where: bonds (distance) C4'-P energy: -57.237 bonds (distance) P-C4' energy: -62.972 flat angles C4'-P-C4' energy: -47.504 flat angles P-C4'-P energy: -37.188 tors. eta vs tors. theta energy: 4.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1367.075244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.075244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.075244 (E_RNA) where: Base-Base interactions energy: -940.908 where: short stacking energy: -407.853 Base-Backbone interact. energy: -1.537 local terms energy: -424.629911 where: bonds (distance) C4'-P energy: -75.539 bonds (distance) P-C4' energy: -77.272 flat angles C4'-P-C4' energy: -80.412 flat angles P-C4'-P energy: -70.247 tors. eta vs tors. theta energy: -121.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1317.011730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.011730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.011730 (E_RNA) where: Base-Base interactions energy: -902.360 where: short stacking energy: -382.664 Base-Backbone interact. energy: -2.446 local terms energy: -412.205987 where: bonds (distance) C4'-P energy: -81.008 bonds (distance) P-C4' energy: -70.897 flat angles C4'-P-C4' energy: -86.080 flat angles P-C4'-P energy: -54.349 tors. eta vs tors. theta energy: -119.872 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: 4 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1283.609380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.609380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.609380 (E_RNA) where: Base-Base interactions energy: -870.099 where: short stacking energy: -393.243 Base-Backbone interact. energy: -1.100 local terms energy: -412.410226 where: bonds (distance) C4'-P energy: -77.305 bonds (distance) P-C4' energy: -87.484 flat angles C4'-P-C4' energy: -85.802 flat angles P-C4'-P energy: -49.292 tors. eta vs tors. theta energy: -112.528 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: 7 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1229.905165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.905165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.905165 (E_RNA) where: Base-Base interactions energy: -814.012 where: short stacking energy: -382.961 Base-Backbone interact. energy: 2.043 local terms energy: -417.935683 where: bonds (distance) C4'-P energy: -83.000 bonds (distance) P-C4' energy: -73.325 flat angles C4'-P-C4' energy: -84.572 flat angles P-C4'-P energy: -59.260 tors. eta vs tors. theta energy: -117.779 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: 5, replica: 9 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1136.570182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.570182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.570182 (E_RNA) where: Base-Base interactions energy: -778.360 where: short stacking energy: -339.258 Base-Backbone interact. energy: 1.234 local terms energy: -359.443896 where: bonds (distance) C4'-P energy: -57.344 bonds (distance) P-C4' energy: -79.615 flat angles C4'-P-C4' energy: -76.109 flat angles P-C4'-P energy: -42.836 tors. eta vs tors. theta energy: -103.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -911.430302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.430302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.430302 (E_RNA) where: Base-Base interactions energy: -574.751 where: short stacking energy: -294.777 Base-Backbone interact. energy: -2.182 local terms energy: -334.497587 where: bonds (distance) C4'-P energy: -70.921 bonds (distance) P-C4' energy: -65.756 flat angles C4'-P-C4' energy: -73.295 flat angles P-C4'-P energy: -54.551 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: 8 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -839.915386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.915386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.915386 (E_RNA) where: Base-Base interactions energy: -554.960 where: short stacking energy: -250.544 Base-Backbone interact. energy: -0.412 local terms energy: -284.543053 where: bonds (distance) C4'-P energy: -55.358 bonds (distance) P-C4' energy: -64.564 flat angles C4'-P-C4' energy: -64.800 flat angles P-C4'-P energy: -46.568 tors. eta vs tors. theta energy: -53.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -702.769073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.769073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.769073 (E_RNA) where: Base-Base interactions energy: -410.811 where: short stacking energy: -193.804 Base-Backbone interact. energy: 0.407 local terms energy: -292.365130 where: bonds (distance) C4'-P energy: -72.547 bonds (distance) P-C4' energy: -67.091 flat angles C4'-P-C4' energy: -64.899 flat angles P-C4'-P energy: -49.283 tors. eta vs tors. theta energy: -38.545 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: 10 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -594.128404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.128404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.128404 (E_RNA) where: Base-Base interactions energy: -335.400 where: short stacking energy: -174.054 Base-Backbone interact. energy: -0.092 local terms energy: -258.636282 where: bonds (distance) C4'-P energy: -62.921 bonds (distance) P-C4' energy: -69.921 flat angles C4'-P-C4' energy: -57.871 flat angles P-C4'-P energy: -32.032 tors. eta vs tors. theta energy: -35.892 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: 5 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -377.305499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.305499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.305499 (E_RNA) where: Base-Base interactions energy: -166.884 where: short stacking energy: -99.944 Base-Backbone interact. energy: -1.053 local terms energy: -209.368949 where: bonds (distance) C4'-P energy: -61.788 bonds (distance) P-C4' energy: -74.986 flat angles C4'-P-C4' energy: -54.794 flat angles P-C4'-P energy: -33.241 tors. eta vs tors. theta energy: 15.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1383.827836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.827836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.827836 (E_RNA) where: Base-Base interactions energy: -959.845 where: short stacking energy: -418.518 Base-Backbone interact. energy: -2.589 local terms energy: -421.394314 where: bonds (distance) C4'-P energy: -64.717 bonds (distance) P-C4' energy: -84.074 flat angles C4'-P-C4' energy: -86.129 flat angles P-C4'-P energy: -62.414 tors. eta vs tors. theta energy: -124.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1328.432869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.432869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.432869 (E_RNA) where: Base-Base interactions energy: -904.216 where: short stacking energy: -387.754 Base-Backbone interact. energy: -1.208 local terms energy: -423.009143 where: bonds (distance) C4'-P energy: -74.813 bonds (distance) P-C4' energy: -80.916 flat angles C4'-P-C4' energy: -83.933 flat angles P-C4'-P energy: -61.382 tors. eta vs tors. theta energy: -121.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1288.990695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.990695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.990695 (E_RNA) where: Base-Base interactions energy: -891.211 where: short stacking energy: -406.269 Base-Backbone interact. energy: -1.409 local terms energy: -396.369972 where: bonds (distance) C4'-P energy: -74.904 bonds (distance) P-C4' energy: -73.786 flat angles C4'-P-C4' energy: -81.148 flat angles P-C4'-P energy: -49.487 tors. eta vs tors. theta energy: -117.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1216.107135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.107135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.107135 (E_RNA) where: Base-Base interactions energy: -815.839 where: short stacking energy: -352.911 Base-Backbone interact. energy: -0.872 local terms energy: -399.395343 where: bonds (distance) C4'-P energy: -71.214 bonds (distance) P-C4' energy: -71.137 flat angles C4'-P-C4' energy: -84.682 flat angles P-C4'-P energy: -63.521 tors. eta vs tors. theta energy: -108.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1130.814991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.814991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.814991 (E_RNA) where: Base-Base interactions energy: -765.972 where: short stacking energy: -324.132 Base-Backbone interact. energy: 0.070 local terms energy: -364.912839 where: bonds (distance) C4'-P energy: -70.070 bonds (distance) P-C4' energy: -74.295 flat angles C4'-P-C4' energy: -77.163 flat angles P-C4'-P energy: -50.822 tors. eta vs tors. theta energy: -92.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -874.625159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.625159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.625159 (E_RNA) where: Base-Base interactions energy: -549.174 where: short stacking energy: -269.404 Base-Backbone interact. energy: -1.268 local terms energy: -324.183116 where: bonds (distance) C4'-P energy: -66.035 bonds (distance) P-C4' energy: -53.056 flat angles C4'-P-C4' energy: -77.014 flat angles P-C4'-P energy: -53.912 tors. eta vs tors. theta energy: -74.167 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: 7, replica: 8 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -866.421277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.421277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.421277 (E_RNA) where: Base-Base interactions energy: -568.133 where: short stacking energy: -268.784 Base-Backbone interact. energy: -1.539 local terms energy: -296.749360 where: bonds (distance) C4'-P energy: -55.859 bonds (distance) P-C4' energy: -70.500 flat angles C4'-P-C4' energy: -65.507 flat angles P-C4'-P energy: -44.740 tors. eta vs tors. theta energy: -60.143 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: 1 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -686.896678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.896678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.896678 (E_RNA) where: Base-Base interactions energy: -418.845 where: short stacking energy: -202.497 Base-Backbone interact. energy: -0.245 local terms energy: -267.806595 where: bonds (distance) C4'-P energy: -57.325 bonds (distance) P-C4' energy: -71.850 flat angles C4'-P-C4' energy: -66.456 flat angles P-C4'-P energy: -39.071 tors. eta vs tors. theta energy: -33.104 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: 10 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -606.809709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.809709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.809709 (E_RNA) where: Base-Base interactions energy: -346.559 where: short stacking energy: -176.562 Base-Backbone interact. energy: 0.272 local terms energy: -260.522497 where: bonds (distance) C4'-P energy: -59.924 bonds (distance) P-C4' energy: -77.395 flat angles C4'-P-C4' energy: -62.633 flat angles P-C4'-P energy: -34.845 tors. eta vs tors. theta energy: -25.724 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: 5 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -414.497159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.497159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.497159 (E_RNA) where: Base-Base interactions energy: -181.614 where: short stacking energy: -121.024 Base-Backbone interact. energy: -0.551 local terms energy: -232.332062 where: bonds (distance) C4'-P energy: -65.795 bonds (distance) P-C4' energy: -71.943 flat angles C4'-P-C4' energy: -47.886 flat angles P-C4'-P energy: -42.445 tors. eta vs tors. theta energy: -4.263 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: 1, replica: 3 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1366.471558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.471558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.471558 (E_RNA) where: Base-Base interactions energy: -941.835 where: short stacking energy: -407.918 Base-Backbone interact. energy: 0.049 local terms energy: -424.685938 where: bonds (distance) C4'-P energy: -83.884 bonds (distance) P-C4' energy: -73.421 flat angles C4'-P-C4' energy: -86.594 flat angles P-C4'-P energy: -63.507 tors. eta vs tors. theta energy: -117.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1324.868030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.868030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.868030 (E_RNA) where: Base-Base interactions energy: -907.071 where: short stacking energy: -414.313 Base-Backbone interact. energy: -1.095 local terms energy: -416.702149 where: bonds (distance) C4'-P energy: -72.522 bonds (distance) P-C4' energy: -69.784 flat angles C4'-P-C4' energy: -92.675 flat angles P-C4'-P energy: -56.917 tors. eta vs tors. theta energy: -124.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1283.962870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.962870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.962870 (E_RNA) where: Base-Base interactions energy: -870.833 where: short stacking energy: -382.089 Base-Backbone interact. energy: -1.693 local terms energy: -411.436944 where: bonds (distance) C4'-P energy: -70.625 bonds (distance) P-C4' energy: -79.450 flat angles C4'-P-C4' energy: -89.870 flat angles P-C4'-P energy: -57.505 tors. eta vs tors. theta energy: -113.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1202.741136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.741136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.741136 (E_RNA) where: Base-Base interactions energy: -805.477 where: short stacking energy: -376.644 Base-Backbone interact. energy: -1.781 local terms energy: -395.482852 where: bonds (distance) C4'-P energy: -69.250 bonds (distance) P-C4' energy: -76.937 flat angles C4'-P-C4' energy: -80.944 flat angles P-C4'-P energy: -54.251 tors. eta vs tors. theta energy: -114.100 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: 9 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1137.169660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.169660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.169660 (E_RNA) where: Base-Base interactions energy: -790.801 where: short stacking energy: -339.600 Base-Backbone interact. energy: -1.410 local terms energy: -344.959173 where: bonds (distance) C4'-P energy: -72.922 bonds (distance) P-C4' energy: -59.936 flat angles C4'-P-C4' energy: -85.809 flat angles P-C4'-P energy: -39.315 tors. eta vs tors. theta energy: -86.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -880.051992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.051992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.051992 (E_RNA) where: Base-Base interactions energy: -561.833 where: short stacking energy: -249.031 Base-Backbone interact. energy: -0.501 local terms energy: -317.718727 where: bonds (distance) C4'-P energy: -69.292 bonds (distance) P-C4' energy: -82.490 flat angles C4'-P-C4' energy: -70.485 flat angles P-C4'-P energy: -51.242 tors. eta vs tors. theta energy: -44.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -825.054632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.054632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.054632 (E_RNA) where: Base-Base interactions energy: -509.579 where: short stacking energy: -249.377 Base-Backbone interact. energy: -2.250 local terms energy: -313.226060 where: bonds (distance) C4'-P energy: -67.954 bonds (distance) P-C4' energy: -77.395 flat angles C4'-P-C4' energy: -68.057 flat angles P-C4'-P energy: -44.528 tors. eta vs tors. theta energy: -55.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -670.573242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.573242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.573242 (E_RNA) where: Base-Base interactions energy: -407.054 where: short stacking energy: -202.499 Base-Backbone interact. energy: -2.200 local terms energy: -261.319723 where: bonds (distance) C4'-P energy: -61.715 bonds (distance) P-C4' energy: -67.770 flat angles C4'-P-C4' energy: -68.384 flat angles P-C4'-P energy: -27.937 tors. eta vs tors. theta energy: -35.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -648.574996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.574996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.574996 (E_RNA) where: Base-Base interactions energy: -368.865 where: short stacking energy: -206.926 Base-Backbone interact. energy: -0.455 local terms energy: -279.254467 where: bonds (distance) C4'-P energy: -75.832 bonds (distance) P-C4' energy: -69.170 flat angles C4'-P-C4' energy: -75.604 flat angles P-C4'-P energy: -36.304 tors. eta vs tors. theta energy: -22.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -424.275138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.275138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.275138 (E_RNA) where: Base-Base interactions energy: -223.219 where: short stacking energy: -145.662 Base-Backbone interact. energy: -1.095 local terms energy: -199.961975 where: bonds (distance) C4'-P energy: -53.789 bonds (distance) P-C4' energy: -46.454 flat angles C4'-P-C4' energy: -56.270 flat angles P-C4'-P energy: -42.674 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1367.814519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.814519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.814519 (E_RNA) where: Base-Base interactions energy: -949.457 where: short stacking energy: -400.774 Base-Backbone interact. energy: -3.300 local terms energy: -415.056562 where: bonds (distance) C4'-P energy: -76.344 bonds (distance) P-C4' energy: -74.480 flat angles C4'-P-C4' energy: -86.622 flat angles P-C4'-P energy: -61.942 tors. eta vs tors. theta energy: -115.669 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: 2, replica: 2 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1307.795226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.795226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.795226 (E_RNA) where: Base-Base interactions energy: -888.884 where: short stacking energy: -402.067 Base-Backbone interact. energy: -2.760 local terms energy: -416.150650 where: bonds (distance) C4'-P energy: -72.246 bonds (distance) P-C4' energy: -86.406 flat angles C4'-P-C4' energy: -84.222 flat angles P-C4'-P energy: -55.029 tors. eta vs tors. theta energy: -118.247 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: 3, replica: 4 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1288.596436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.596436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.596436 (E_RNA) where: Base-Base interactions energy: -876.065 where: short stacking energy: -395.907 Base-Backbone interact. energy: -0.418 local terms energy: -412.113984 where: bonds (distance) C4'-P energy: -76.823 bonds (distance) P-C4' energy: -66.646 flat angles C4'-P-C4' energy: -89.885 flat angles P-C4'-P energy: -61.604 tors. eta vs tors. theta energy: -117.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1213.840730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.840730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.840730 (E_RNA) where: Base-Base interactions energy: -821.727 where: short stacking energy: -376.079 Base-Backbone interact. energy: -2.828 local terms energy: -389.285448 where: bonds (distance) C4'-P energy: -63.442 bonds (distance) P-C4' energy: -76.771 flat angles C4'-P-C4' energy: -76.586 flat angles P-C4'-P energy: -59.854 tors. eta vs tors. theta energy: -112.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1139.235142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.235142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.235142 (E_RNA) where: Base-Base interactions energy: -797.040 where: short stacking energy: -335.138 Base-Backbone interact. energy: -1.486 local terms energy: -340.708371 where: bonds (distance) C4'-P energy: -68.740 bonds (distance) P-C4' energy: -62.275 flat angles C4'-P-C4' energy: -79.047 flat angles P-C4'-P energy: -41.262 tors. eta vs tors. theta energy: -89.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -926.512092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.512092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.512092 (E_RNA) where: Base-Base interactions energy: -572.017 where: short stacking energy: -273.318 Base-Backbone interact. energy: -2.826 local terms energy: -351.669206 where: bonds (distance) C4'-P energy: -76.112 bonds (distance) P-C4' energy: -69.542 flat angles C4'-P-C4' energy: -82.684 flat angles P-C4'-P energy: -56.182 tors. eta vs tors. theta energy: -67.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -851.134174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.134174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.134174 (E_RNA) where: Base-Base interactions energy: -536.313 where: short stacking energy: -262.924 Base-Backbone interact. energy: 3.221 local terms energy: -318.042051 where: bonds (distance) C4'-P energy: -70.263 bonds (distance) P-C4' energy: -70.131 flat angles C4'-P-C4' energy: -74.093 flat angles P-C4'-P energy: -37.550 tors. eta vs tors. theta energy: -66.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -673.207024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.207024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.207024 (E_RNA) where: Base-Base interactions energy: -398.600 where: short stacking energy: -195.102 Base-Backbone interact. energy: -2.243 local terms energy: -272.363571 where: bonds (distance) C4'-P energy: -67.903 bonds (distance) P-C4' energy: -60.554 flat angles C4'-P-C4' energy: -69.304 flat angles P-C4'-P energy: -40.955 tors. eta vs tors. theta energy: -33.647 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: 134 Temperature: 1.300000 Total energy: -588.804757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.804757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.804757 (E_RNA) where: Base-Base interactions energy: -325.317 where: short stacking energy: -157.514 Base-Backbone interact. energy: -1.462 local terms energy: -262.025354 where: bonds (distance) C4'-P energy: -66.889 bonds (distance) P-C4' energy: -61.349 flat angles C4'-P-C4' energy: -72.724 flat angles P-C4'-P energy: -40.016 tors. eta vs tors. theta energy: -21.046 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: 5 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -385.888215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.888215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.888215 (E_RNA) where: Base-Base interactions energy: -187.747 where: short stacking energy: -98.784 Base-Backbone interact. energy: -1.644 local terms energy: -196.497146 where: bonds (distance) C4'-P energy: -61.935 bonds (distance) P-C4' energy: -60.783 flat angles C4'-P-C4' energy: -51.117 flat angles P-C4'-P energy: -33.026 tors. eta vs tors. theta energy: 10.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1384.340279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.340279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.340279 (E_RNA) where: Base-Base interactions energy: -948.908 where: short stacking energy: -420.649 Base-Backbone interact. energy: -0.889 local terms energy: -434.542530 where: bonds (distance) C4'-P energy: -83.725 bonds (distance) P-C4' energy: -67.739 flat angles C4'-P-C4' energy: -93.614 flat angles P-C4'-P energy: -67.539 tors. eta vs tors. theta energy: -121.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1319.507721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.507721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.507721 (E_RNA) where: Base-Base interactions energy: -898.703 where: short stacking energy: -397.898 Base-Backbone interact. energy: -1.130 local terms energy: -419.674971 where: bonds (distance) C4'-P energy: -79.998 bonds (distance) P-C4' energy: -76.002 flat angles C4'-P-C4' energy: -84.464 flat angles P-C4'-P energy: -60.558 tors. eta vs tors. theta energy: -118.653 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: 4 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1269.595624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.595624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.595624 (E_RNA) where: Base-Base interactions energy: -853.193 where: short stacking energy: -388.171 Base-Backbone interact. energy: -0.548 local terms energy: -415.854623 where: bonds (distance) C4'-P energy: -78.167 bonds (distance) P-C4' energy: -73.835 flat angles C4'-P-C4' energy: -85.824 flat angles P-C4'-P energy: -50.795 tors. eta vs tors. theta energy: -127.235 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: 4, replica: 7 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1191.404656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.404656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.404656 (E_RNA) where: Base-Base interactions energy: -791.422 where: short stacking energy: -349.834 Base-Backbone interact. energy: 0.007 local terms energy: -399.989647 where: bonds (distance) C4'-P energy: -71.780 bonds (distance) P-C4' energy: -69.683 flat angles C4'-P-C4' energy: -88.856 flat angles P-C4'-P energy: -62.960 tors. eta vs tors. theta energy: -106.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1084.585009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.585009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.585009 (E_RNA) where: Base-Base interactions energy: -730.544 where: short stacking energy: -321.149 Base-Backbone interact. energy: 0.304 local terms energy: -354.344994 where: bonds (distance) C4'-P energy: -71.230 bonds (distance) P-C4' energy: -74.068 flat angles C4'-P-C4' energy: -79.961 flat angles P-C4'-P energy: -44.852 tors. eta vs tors. theta energy: -84.234 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: 8 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -907.532311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.532311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.532311 (E_RNA) where: Base-Base interactions energy: -588.202 where: short stacking energy: -289.751 Base-Backbone interact. energy: -0.346 local terms energy: -318.984070 where: bonds (distance) C4'-P energy: -42.026 bonds (distance) P-C4' energy: -71.184 flat angles C4'-P-C4' energy: -79.138 flat angles P-C4'-P energy: -52.534 tors. eta vs tors. theta energy: -74.102 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: 135 Temperature: 1.200000 Total energy: -855.773584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.773584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.773584 (E_RNA) where: Base-Base interactions energy: -535.241 where: short stacking energy: -250.520 Base-Backbone interact. energy: -0.753 local terms energy: -319.780047 where: bonds (distance) C4'-P energy: -68.570 bonds (distance) P-C4' energy: -73.463 flat angles C4'-P-C4' energy: -81.088 flat angles P-C4'-P energy: -45.676 tors. eta vs tors. theta energy: -50.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -627.459687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.459687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.459687 (E_RNA) where: Base-Base interactions energy: -367.166 where: short stacking energy: -195.170 Base-Backbone interact. energy: 1.745 local terms energy: -262.038321 where: bonds (distance) C4'-P energy: -72.936 bonds (distance) P-C4' energy: -67.415 flat angles C4'-P-C4' energy: -62.400 flat angles P-C4'-P energy: -40.354 tors. eta vs tors. theta energy: -18.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -648.298194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.298194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.298194 (E_RNA) where: Base-Base interactions energy: -405.577 where: short stacking energy: -195.882 Base-Backbone interact. energy: -4.202 local terms energy: -238.518595 where: bonds (distance) C4'-P energy: -48.250 bonds (distance) P-C4' energy: -66.124 flat angles C4'-P-C4' energy: -58.563 flat angles P-C4'-P energy: -31.431 tors. eta vs tors. theta energy: -34.151 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: 10, replica: 5 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -379.453995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.453995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.453995 (E_RNA) where: Base-Base interactions energy: -164.308 where: short stacking energy: -117.502 Base-Backbone interact. energy: 1.838 local terms energy: -216.983697 where: bonds (distance) C4'-P energy: -59.867 bonds (distance) P-C4' energy: -80.592 flat angles C4'-P-C4' energy: -55.129 flat angles P-C4'-P energy: -32.553 tors. eta vs tors. theta energy: 11.158 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: 136 Temperature: 0.900000 Total energy: -1374.011633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.011633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.011633 (E_RNA) where: Base-Base interactions energy: -953.574 where: short stacking energy: -424.717 Base-Backbone interact. energy: -1.287 local terms energy: -419.150515 where: bonds (distance) C4'-P energy: -76.938 bonds (distance) P-C4' energy: -88.410 flat angles C4'-P-C4' energy: -82.917 flat angles P-C4'-P energy: -55.646 tors. eta vs tors. theta energy: -115.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1325.786083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.786083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.786083 (E_RNA) where: Base-Base interactions energy: -901.119 where: short stacking energy: -414.470 Base-Backbone interact. energy: -2.935 local terms energy: -421.732140 where: bonds (distance) C4'-P energy: -65.589 bonds (distance) P-C4' energy: -78.627 flat angles C4'-P-C4' energy: -90.073 flat angles P-C4'-P energy: -61.440 tors. eta vs tors. theta energy: -126.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1271.151217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.151217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.151217 (E_RNA) where: Base-Base interactions energy: -859.204 where: short stacking energy: -393.602 Base-Backbone interact. energy: -1.194 local terms energy: -410.752679 where: bonds (distance) C4'-P energy: -72.071 bonds (distance) P-C4' energy: -75.578 flat angles C4'-P-C4' energy: -81.494 flat angles P-C4'-P energy: -65.676 tors. eta vs tors. theta energy: -115.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1179.326205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.326205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.326205 (E_RNA) where: Base-Base interactions energy: -790.568 where: short stacking energy: -366.753 Base-Backbone interact. energy: -0.501 local terms energy: -388.256633 where: bonds (distance) C4'-P energy: -81.327 bonds (distance) P-C4' energy: -74.076 flat angles C4'-P-C4' energy: -84.811 flat angles P-C4'-P energy: -49.725 tors. eta vs tors. theta energy: -98.318 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: 9 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1131.299890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.299890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.299890 (E_RNA) where: Base-Base interactions energy: -769.585 where: short stacking energy: -325.203 Base-Backbone interact. energy: 0.660 local terms energy: -362.374764 where: bonds (distance) C4'-P energy: -70.453 bonds (distance) P-C4' energy: -76.486 flat angles C4'-P-C4' energy: -81.384 flat angles P-C4'-P energy: -49.326 tors. eta vs tors. theta energy: -84.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -914.139482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.139482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.139482 (E_RNA) where: Base-Base interactions energy: -607.111 where: short stacking energy: -271.569 Base-Backbone interact. energy: -0.428 local terms energy: -306.600316 where: bonds (distance) C4'-P energy: -56.538 bonds (distance) P-C4' energy: -66.181 flat angles C4'-P-C4' energy: -71.682 flat angles P-C4'-P energy: -42.060 tors. eta vs tors. theta energy: -70.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -845.592721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.592721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.592721 (E_RNA) where: Base-Base interactions energy: -552.852 where: short stacking energy: -256.318 Base-Backbone interact. energy: 3.861 local terms energy: -296.602372 where: bonds (distance) C4'-P energy: -63.155 bonds (distance) P-C4' energy: -65.816 flat angles C4'-P-C4' energy: -61.176 flat angles P-C4'-P energy: -43.436 tors. eta vs tors. theta energy: -63.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -623.917615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.917615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.917615 (E_RNA) where: Base-Base interactions energy: -363.331 where: short stacking energy: -196.158 Base-Backbone interact. energy: 0.176 local terms energy: -260.762514 where: bonds (distance) C4'-P energy: -54.861 bonds (distance) P-C4' energy: -67.530 flat angles C4'-P-C4' energy: -68.149 flat angles P-C4'-P energy: -40.284 tors. eta vs tors. theta energy: -29.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -551.528751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.528751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.528751 (E_RNA) where: Base-Base interactions energy: -307.891 where: short stacking energy: -168.280 Base-Backbone interact. energy: -1.316 local terms energy: -242.321676 where: bonds (distance) C4'-P energy: -61.371 bonds (distance) P-C4' energy: -65.228 flat angles C4'-P-C4' energy: -65.057 flat angles P-C4'-P energy: -23.009 tors. eta vs tors. theta energy: -27.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -367.365356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.365356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.365356 (E_RNA) where: Base-Base interactions energy: -156.198 where: short stacking energy: -93.455 Base-Backbone interact. energy: 2.115 local terms energy: -213.282255 where: bonds (distance) C4'-P energy: -51.282 bonds (distance) P-C4' energy: -63.199 flat angles C4'-P-C4' energy: -63.827 flat angles P-C4'-P energy: -46.174 tors. eta vs tors. theta energy: 11.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1356.536367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.536367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.536367 (E_RNA) where: Base-Base interactions energy: -949.567 where: short stacking energy: -404.508 Base-Backbone interact. energy: -2.254 local terms energy: -404.715562 where: bonds (distance) C4'-P energy: -78.215 bonds (distance) P-C4' energy: -70.376 flat angles C4'-P-C4' energy: -81.654 flat angles P-C4'-P energy: -66.027 tors. eta vs tors. theta energy: -108.444 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: 2, replica: 2 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1324.063002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.063002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.063002 (E_RNA) where: Base-Base interactions energy: -907.824 where: short stacking energy: -404.913 Base-Backbone interact. energy: -1.242 local terms energy: -414.997310 where: bonds (distance) C4'-P energy: -78.154 bonds (distance) P-C4' energy: -79.302 flat angles C4'-P-C4' energy: -85.065 flat angles P-C4'-P energy: -59.144 tors. eta vs tors. theta energy: -113.333 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: 3, replica: 4 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1257.136339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.136339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.136339 (E_RNA) where: Base-Base interactions energy: -831.198 where: short stacking energy: -368.546 Base-Backbone interact. energy: -1.544 local terms energy: -424.394180 where: bonds (distance) C4'-P energy: -72.328 bonds (distance) P-C4' energy: -80.728 flat angles C4'-P-C4' energy: -92.327 flat angles P-C4'-P energy: -66.326 tors. eta vs tors. theta energy: -112.685 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: 7 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1207.777652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.777652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.777652 (E_RNA) where: Base-Base interactions energy: -803.769 where: short stacking energy: -366.911 Base-Backbone interact. energy: -0.521 local terms energy: -403.487589 where: bonds (distance) C4'-P energy: -67.129 bonds (distance) P-C4' energy: -86.393 flat angles C4'-P-C4' energy: -80.658 flat angles P-C4'-P energy: -62.879 tors. eta vs tors. theta energy: -106.429 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: 9 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1096.254338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.254338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.254338 (E_RNA) where: Base-Base interactions energy: -736.246 where: short stacking energy: -317.432 Base-Backbone interact. energy: -3.560 local terms energy: -356.448581 where: bonds (distance) C4'-P energy: -76.471 bonds (distance) P-C4' energy: -75.396 flat angles C4'-P-C4' energy: -68.096 flat angles P-C4'-P energy: -49.029 tors. eta vs tors. theta energy: -87.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -874.631722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.631722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.631722 (E_RNA) where: Base-Base interactions energy: -561.419 where: short stacking energy: -271.138 Base-Backbone interact. energy: 2.690 local terms energy: -315.902366 where: bonds (distance) C4'-P energy: -63.330 bonds (distance) P-C4' energy: -68.909 flat angles C4'-P-C4' energy: -70.173 flat angles P-C4'-P energy: -51.911 tors. eta vs tors. theta energy: -61.581 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: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -836.540680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.540680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.540680 (E_RNA) where: Base-Base interactions energy: -526.530 where: short stacking energy: -260.100 Base-Backbone interact. energy: 0.791 local terms energy: -310.801614 where: bonds (distance) C4'-P energy: -69.799 bonds (distance) P-C4' energy: -64.318 flat angles C4'-P-C4' energy: -74.222 flat angles P-C4'-P energy: -40.936 tors. eta vs tors. theta energy: -61.526 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: 8, replica: 1 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -653.319765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.319765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.319765 (E_RNA) where: Base-Base interactions energy: -372.465 where: short stacking energy: -194.253 Base-Backbone interact. energy: -0.507 local terms energy: -280.348339 where: bonds (distance) C4'-P energy: -69.008 bonds (distance) P-C4' energy: -66.478 flat angles C4'-P-C4' energy: -78.040 flat angles P-C4'-P energy: -47.117 tors. eta vs tors. theta energy: -19.705 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: 9, replica: 10 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -590.462534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.462534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.462534 (E_RNA) where: Base-Base interactions energy: -343.590 where: short stacking energy: -177.790 Base-Backbone interact. energy: 0.875 local terms energy: -247.747659 where: bonds (distance) C4'-P energy: -73.657 bonds (distance) P-C4' energy: -60.111 flat angles C4'-P-C4' energy: -68.229 flat angles P-C4'-P energy: -32.097 tors. eta vs tors. theta energy: -13.653 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: 5 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -380.787385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.787385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.787385 (E_RNA) where: Base-Base interactions energy: -177.886 where: short stacking energy: -111.136 Base-Backbone interact. energy: -1.650 local terms energy: -201.251210 where: bonds (distance) C4'-P energy: -58.101 bonds (distance) P-C4' energy: -63.589 flat angles C4'-P-C4' energy: -52.492 flat angles P-C4'-P energy: -32.220 tors. eta vs tors. theta energy: 5.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1364.420925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.420925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.420925 (E_RNA) where: Base-Base interactions energy: -934.490 where: short stacking energy: -436.656 Base-Backbone interact. energy: -0.269 local terms energy: -429.661542 where: bonds (distance) C4'-P energy: -74.149 bonds (distance) P-C4' energy: -81.478 flat angles C4'-P-C4' energy: -90.206 flat angles P-C4'-P energy: -57.360 tors. eta vs tors. theta energy: -126.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1339.403151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.403151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.403151 (E_RNA) where: Base-Base interactions energy: -915.930 where: short stacking energy: -394.987 Base-Backbone interact. energy: -1.648 local terms energy: -421.825081 where: bonds (distance) C4'-P energy: -75.217 bonds (distance) P-C4' energy: -81.367 flat angles C4'-P-C4' energy: -91.647 flat angles P-C4'-P energy: -68.283 tors. eta vs tors. theta energy: -105.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1235.704705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.704705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.704705 (E_RNA) where: Base-Base interactions energy: -868.332 where: short stacking energy: -368.231 Base-Backbone interact. energy: -2.503 local terms energy: -364.869928 where: bonds (distance) C4'-P energy: -67.886 bonds (distance) P-C4' energy: -67.140 flat angles C4'-P-C4' energy: -78.720 flat angles P-C4'-P energy: -44.686 tors. eta vs tors. theta energy: -106.438 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: -1151.982961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.982961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.982961 (E_RNA) where: Base-Base interactions energy: -764.337 where: short stacking energy: -354.245 Base-Backbone interact. energy: 0.525 local terms energy: -388.171082 where: bonds (distance) C4'-P energy: -65.065 bonds (distance) P-C4' energy: -79.021 flat angles C4'-P-C4' energy: -86.815 flat angles P-C4'-P energy: -53.277 tors. eta vs tors. theta energy: -103.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1115.305239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.305239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.305239 (E_RNA) where: Base-Base interactions energy: -753.717 where: short stacking energy: -322.239 Base-Backbone interact. energy: -1.632 local terms energy: -359.955743 where: bonds (distance) C4'-P energy: -69.228 bonds (distance) P-C4' energy: -79.236 flat angles C4'-P-C4' energy: -80.229 flat angles P-C4'-P energy: -51.644 tors. eta vs tors. theta energy: -79.619 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: 8 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -952.686715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.686715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.686715 (E_RNA) where: Base-Base interactions energy: -615.544 where: short stacking energy: -282.560 Base-Backbone interact. energy: 0.688 local terms energy: -337.830632 where: bonds (distance) C4'-P energy: -71.585 bonds (distance) P-C4' energy: -67.413 flat angles C4'-P-C4' energy: -76.881 flat angles P-C4'-P energy: -52.555 tors. eta vs tors. theta energy: -69.397 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: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -849.218583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.218583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.218583 (E_RNA) where: Base-Base interactions energy: -520.055 where: short stacking energy: -270.878 Base-Backbone interact. energy: -0.788 local terms energy: -328.375351 where: bonds (distance) C4'-P energy: -67.741 bonds (distance) P-C4' energy: -58.526 flat angles C4'-P-C4' energy: -82.192 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: -79.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -657.938263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.938263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.938263 (E_RNA) where: Base-Base interactions energy: -392.879 where: short stacking energy: -218.956 Base-Backbone interact. energy: -1.794 local terms energy: -263.265439 where: bonds (distance) C4'-P energy: -51.219 bonds (distance) P-C4' energy: -66.766 flat angles C4'-P-C4' energy: -71.812 flat angles P-C4'-P energy: -36.350 tors. eta vs tors. theta energy: -37.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -576.833360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.833360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.833360 (E_RNA) where: Base-Base interactions energy: -352.818 where: short stacking energy: -183.270 Base-Backbone interact. energy: 0.012 local terms energy: -224.027214 where: bonds (distance) C4'-P energy: -45.866 bonds (distance) P-C4' energy: -55.811 flat angles C4'-P-C4' energy: -59.956 flat angles P-C4'-P energy: -35.848 tors. eta vs tors. theta energy: -26.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -398.148075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.148075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.148075 (E_RNA) where: Base-Base interactions energy: -181.505 where: short stacking energy: -129.587 Base-Backbone interact. energy: 3.288 local terms energy: -219.930997 where: bonds (distance) C4'-P energy: -61.451 bonds (distance) P-C4' energy: -57.872 flat angles C4'-P-C4' energy: -51.082 flat angles P-C4'-P energy: -33.333 tors. eta vs tors. theta energy: -16.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1372.422398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.422398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.422398 (E_RNA) where: Base-Base interactions energy: -918.244 where: short stacking energy: -422.484 Base-Backbone interact. energy: -1.324 local terms energy: -452.855260 where: bonds (distance) C4'-P energy: -89.355 bonds (distance) P-C4' energy: -79.867 flat angles C4'-P-C4' energy: -97.313 flat angles P-C4'-P energy: -57.758 tors. eta vs tors. theta energy: -128.562 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: 3 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1337.416011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.416011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.416011 (E_RNA) where: Base-Base interactions energy: -908.197 where: short stacking energy: -387.795 Base-Backbone interact. energy: -3.235 local terms energy: -425.984465 where: bonds (distance) C4'-P energy: -81.036 bonds (distance) P-C4' energy: -81.311 flat angles C4'-P-C4' energy: -88.512 flat angles P-C4'-P energy: -60.516 tors. eta vs tors. theta energy: -114.609 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: 139 Temperature: 1.000000 Total energy: -1249.744282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.744282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.744282 (E_RNA) where: Base-Base interactions energy: -862.618 where: short stacking energy: -369.597 Base-Backbone interact. energy: -0.244 local terms energy: -386.881802 where: bonds (distance) C4'-P energy: -73.280 bonds (distance) P-C4' energy: -72.834 flat angles C4'-P-C4' energy: -76.044 flat angles P-C4'-P energy: -51.534 tors. eta vs tors. theta energy: -113.189 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: 7 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1209.545330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.545330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.545330 (E_RNA) where: Base-Base interactions energy: -817.619 where: short stacking energy: -375.116 Base-Backbone interact. energy: 1.283 local terms energy: -393.208756 where: bonds (distance) C4'-P energy: -77.554 bonds (distance) P-C4' energy: -69.012 flat angles C4'-P-C4' energy: -81.929 flat angles P-C4'-P energy: -52.085 tors. eta vs tors. theta energy: -112.630 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: 9 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1117.237774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.237774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.237774 (E_RNA) where: Base-Base interactions energy: -755.152 where: short stacking energy: -320.624 Base-Backbone interact. energy: -1.127 local terms energy: -360.958252 where: bonds (distance) C4'-P energy: -79.103 bonds (distance) P-C4' energy: -62.959 flat angles C4'-P-C4' energy: -84.066 flat angles P-C4'-P energy: -43.293 tors. eta vs tors. theta energy: -91.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -970.418719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.418719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.418719 (E_RNA) where: Base-Base interactions energy: -654.799 where: short stacking energy: -284.149 Base-Backbone interact. energy: -0.655 local terms energy: -314.965403 where: bonds (distance) C4'-P energy: -68.350 bonds (distance) P-C4' energy: -74.737 flat angles C4'-P-C4' energy: -65.902 flat angles P-C4'-P energy: -46.469 tors. eta vs tors. theta energy: -59.508 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: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -829.400057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.400057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.400057 (E_RNA) where: Base-Base interactions energy: -528.124 where: short stacking energy: -264.776 Base-Backbone interact. energy: -1.393 local terms energy: -299.883113 where: bonds (distance) C4'-P energy: -67.404 bonds (distance) P-C4' energy: -72.657 flat angles C4'-P-C4' energy: -61.960 flat angles P-C4'-P energy: -30.780 tors. eta vs tors. theta energy: -67.081 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: 139 Temperature: 1.250000 Total energy: -606.166527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.166527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.166527 (E_RNA) where: Base-Base interactions energy: -336.277 where: short stacking energy: -170.162 Base-Backbone interact. energy: -1.270 local terms energy: -268.619213 where: bonds (distance) C4'-P energy: -72.173 bonds (distance) P-C4' energy: -81.006 flat angles C4'-P-C4' energy: -62.216 flat angles P-C4'-P energy: -35.931 tors. eta vs tors. theta energy: -17.293 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: 1 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -641.111252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.111252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.111252 (E_RNA) where: Base-Base interactions energy: -362.818 where: short stacking energy: -172.721 Base-Backbone interact. energy: -0.730 local terms energy: -277.563664 where: bonds (distance) C4'-P energy: -73.260 bonds (distance) P-C4' energy: -72.551 flat angles C4'-P-C4' energy: -73.364 flat angles P-C4'-P energy: -30.189 tors. eta vs tors. theta energy: -28.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -381.922794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.922794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.922794 (E_RNA) where: Base-Base interactions energy: -168.269 where: short stacking energy: -95.582 Base-Backbone interact. energy: 9.304 local terms energy: -222.957882 where: bonds (distance) C4'-P energy: -63.183 bonds (distance) P-C4' energy: -64.084 flat angles C4'-P-C4' energy: -64.941 flat angles P-C4'-P energy: -37.741 tors. eta vs tors. theta energy: 6.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1373.075645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.075645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.075645 (E_RNA) where: Base-Base interactions energy: -940.657 where: short stacking energy: -436.871 Base-Backbone interact. energy: -0.870 local terms energy: -431.548369 where: bonds (distance) C4'-P energy: -84.008 bonds (distance) P-C4' energy: -77.171 flat angles C4'-P-C4' energy: -89.204 flat angles P-C4'-P energy: -58.013 tors. eta vs tors. theta energy: -123.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1322.276812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.276812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.276812 (E_RNA) where: Base-Base interactions energy: -912.918 where: short stacking energy: -391.686 Base-Backbone interact. energy: -1.795 local terms energy: -407.563829 where: bonds (distance) C4'-P energy: -79.699 bonds (distance) P-C4' energy: -79.460 flat angles C4'-P-C4' energy: -80.719 flat angles P-C4'-P energy: -58.798 tors. eta vs tors. theta energy: -108.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1273.603222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.603222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.603222 (E_RNA) where: Base-Base interactions energy: -847.599 where: short stacking energy: -389.738 Base-Backbone interact. energy: -1.919 local terms energy: -424.085736 where: bonds (distance) C4'-P energy: -82.715 bonds (distance) P-C4' energy: -75.954 flat angles C4'-P-C4' energy: -86.555 flat angles P-C4'-P energy: -55.376 tors. eta vs tors. theta energy: -123.486 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: 4 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1230.619565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.619565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.619565 (E_RNA) where: Base-Base interactions energy: -831.834 where: short stacking energy: -379.479 Base-Backbone interact. energy: 0.414 local terms energy: -399.199615 where: bonds (distance) C4'-P energy: -71.799 bonds (distance) P-C4' energy: -63.958 flat angles C4'-P-C4' energy: -87.329 flat angles P-C4'-P energy: -65.237 tors. eta vs tors. theta energy: -110.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1126.572440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.572440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.572440 (E_RNA) where: Base-Base interactions energy: -741.865 where: short stacking energy: -321.200 Base-Backbone interact. energy: -1.481 local terms energy: -383.226273 where: bonds (distance) C4'-P energy: -71.895 bonds (distance) P-C4' energy: -72.407 flat angles C4'-P-C4' energy: -90.131 flat angles P-C4'-P energy: -55.983 tors. eta vs tors. theta energy: -92.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -945.818857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.818857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.818857 (E_RNA) where: Base-Base interactions energy: -596.194 where: short stacking energy: -295.566 Base-Backbone interact. energy: -1.262 local terms energy: -348.362646 where: bonds (distance) C4'-P energy: -72.299 bonds (distance) P-C4' energy: -77.368 flat angles C4'-P-C4' energy: -64.182 flat angles P-C4'-P energy: -49.856 tors. eta vs tors. theta energy: -84.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -796.035495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.035495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.035495 (E_RNA) where: Base-Base interactions energy: -467.404 where: short stacking energy: -251.857 Base-Backbone interact. energy: -4.220 local terms energy: -324.411395 where: bonds (distance) C4'-P energy: -54.882 bonds (distance) P-C4' energy: -79.524 flat angles C4'-P-C4' energy: -79.428 flat angles P-C4'-P energy: -46.689 tors. eta vs tors. theta energy: -63.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -628.412849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.412849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.412849 (E_RNA) where: Base-Base interactions energy: -355.569 where: short stacking energy: -184.408 Base-Backbone interact. energy: 0.298 local terms energy: -273.141635 where: bonds (distance) C4'-P energy: -59.314 bonds (distance) P-C4' energy: -55.702 flat angles C4'-P-C4' energy: -76.559 flat angles P-C4'-P energy: -41.825 tors. eta vs tors. theta energy: -39.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -650.181395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.181395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.181395 (E_RNA) where: Base-Base interactions energy: -381.716 where: short stacking energy: -202.315 Base-Backbone interact. energy: -1.159 local terms energy: -267.306573 where: bonds (distance) C4'-P energy: -66.043 bonds (distance) P-C4' energy: -69.592 flat angles C4'-P-C4' energy: -54.940 flat angles P-C4'-P energy: -40.921 tors. eta vs tors. theta energy: -35.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -335.752918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.752918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.752918 (E_RNA) where: Base-Base interactions energy: -113.626 where: short stacking energy: -84.276 Base-Backbone interact. energy: -1.396 local terms energy: -220.731146 where: bonds (distance) C4'-P energy: -71.765 bonds (distance) P-C4' energy: -64.004 flat angles C4'-P-C4' energy: -46.877 flat angles P-C4'-P energy: -36.553 tors. eta vs tors. theta energy: -1.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1347.715251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.715251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.715251 (E_RNA) where: Base-Base interactions energy: -921.385 where: short stacking energy: -414.627 Base-Backbone interact. energy: -2.759 local terms energy: -423.570387 where: bonds (distance) C4'-P energy: -72.777 bonds (distance) P-C4' energy: -79.293 flat angles C4'-P-C4' energy: -85.878 flat angles P-C4'-P energy: -55.237 tors. eta vs tors. theta energy: -130.385 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: 2, replica: 3 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1342.846877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.846877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.846877 (E_RNA) where: Base-Base interactions energy: -939.684 where: short stacking energy: -409.943 Base-Backbone interact. energy: -0.056 local terms energy: -403.107062 where: bonds (distance) C4'-P energy: -87.406 bonds (distance) P-C4' energy: -66.216 flat angles C4'-P-C4' energy: -76.574 flat angles P-C4'-P energy: -55.593 tors. eta vs tors. theta energy: -117.318 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: 7 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1267.954471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.954471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.954471 (E_RNA) where: Base-Base interactions energy: -851.473 where: short stacking energy: -390.370 Base-Backbone interact. energy: -1.341 local terms energy: -415.140632 where: bonds (distance) C4'-P energy: -65.818 bonds (distance) P-C4' energy: -83.269 flat angles C4'-P-C4' energy: -98.469 flat angles P-C4'-P energy: -51.316 tors. eta vs tors. theta energy: -116.268 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: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1246.833673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.833673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.833673 (E_RNA) where: Base-Base interactions energy: -829.061 where: short stacking energy: -363.813 Base-Backbone interact. energy: -1.512 local terms energy: -416.261176 where: bonds (distance) C4'-P energy: -86.411 bonds (distance) P-C4' energy: -79.996 flat angles C4'-P-C4' energy: -85.924 flat angles P-C4'-P energy: -55.590 tors. eta vs tors. theta energy: -108.341 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: 9 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1130.166035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.166035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.166035 (E_RNA) where: Base-Base interactions energy: -757.555 where: short stacking energy: -339.172 Base-Backbone interact. energy: -0.318 local terms energy: -372.292601 where: bonds (distance) C4'-P energy: -70.024 bonds (distance) P-C4' energy: -69.875 flat angles C4'-P-C4' energy: -85.218 flat angles P-C4'-P energy: -53.613 tors. eta vs tors. theta energy: -93.562 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: 6, replica: 8 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -940.476250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.476250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.476250 (E_RNA) where: Base-Base interactions energy: -605.873 where: short stacking energy: -285.898 Base-Backbone interact. energy: -1.316 local terms energy: -333.286945 where: bonds (distance) C4'-P energy: -72.129 bonds (distance) P-C4' energy: -64.110 flat angles C4'-P-C4' energy: -75.515 flat angles P-C4'-P energy: -50.942 tors. eta vs tors. theta energy: -70.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -785.802014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.802014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.802014 (E_RNA) where: Base-Base interactions energy: -457.854 where: short stacking energy: -233.662 Base-Backbone interact. energy: -1.338 local terms energy: -326.610125 where: bonds (distance) C4'-P energy: -64.006 bonds (distance) P-C4' energy: -77.862 flat angles C4'-P-C4' energy: -67.756 flat angles P-C4'-P energy: -58.205 tors. eta vs tors. theta energy: -58.781 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: 10 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -629.410025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.410025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.410025 (E_RNA) where: Base-Base interactions energy: -368.261 where: short stacking energy: -178.434 Base-Backbone interact. energy: 0.885 local terms energy: -262.033862 where: bonds (distance) C4'-P energy: -65.437 bonds (distance) P-C4' energy: -68.785 flat angles C4'-P-C4' energy: -52.620 flat angles P-C4'-P energy: -41.755 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: 1 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -623.327016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.327016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.327016 (E_RNA) where: Base-Base interactions energy: -359.904 where: short stacking energy: -170.861 Base-Backbone interact. energy: -2.168 local terms energy: -261.254670 where: bonds (distance) C4'-P energy: -64.307 bonds (distance) P-C4' energy: -70.471 flat angles C4'-P-C4' energy: -57.348 flat angles P-C4'-P energy: -46.176 tors. eta vs tors. theta energy: -22.952 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: 10, replica: 5 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -335.379216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.379216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.379216 (E_RNA) where: Base-Base interactions energy: -126.486 where: short stacking energy: -91.349 Base-Backbone interact. energy: -2.765 local terms energy: -206.128195 where: bonds (distance) C4'-P energy: -62.727 bonds (distance) P-C4' energy: -60.196 flat angles C4'-P-C4' energy: -45.289 flat angles P-C4'-P energy: -40.181 tors. eta vs tors. theta energy: 2.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1367.894244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.894244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.894244 (E_RNA) where: Base-Base interactions energy: -946.297 where: short stacking energy: -420.033 Base-Backbone interact. energy: -0.232 local terms energy: -421.364918 where: bonds (distance) C4'-P energy: -75.910 bonds (distance) P-C4' energy: -75.383 flat angles C4'-P-C4' energy: -84.595 flat angles P-C4'-P energy: -59.428 tors. eta vs tors. theta energy: -126.048 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: 3 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1332.874973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.874973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.874973 (E_RNA) where: Base-Base interactions energy: -908.189 where: short stacking energy: -402.108 Base-Backbone interact. energy: -0.462 local terms energy: -424.224753 where: bonds (distance) C4'-P energy: -79.971 bonds (distance) P-C4' energy: -80.934 flat angles C4'-P-C4' energy: -93.043 flat angles P-C4'-P energy: -52.696 tors. eta vs tors. theta energy: -117.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1254.749449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.749449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.749449 (E_RNA) where: Base-Base interactions energy: -848.764 where: short stacking energy: -375.681 Base-Backbone interact. energy: -0.851 local terms energy: -405.134544 where: bonds (distance) C4'-P energy: -79.438 bonds (distance) P-C4' energy: -80.689 flat angles C4'-P-C4' energy: -83.352 flat angles P-C4'-P energy: -51.919 tors. eta vs tors. theta energy: -109.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1228.020919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.020919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.020919 (E_RNA) where: Base-Base interactions energy: -821.894 where: short stacking energy: -365.715 Base-Backbone interact. energy: 0.117 local terms energy: -406.244222 where: bonds (distance) C4'-P energy: -66.192 bonds (distance) P-C4' energy: -67.477 flat angles C4'-P-C4' energy: -92.155 flat angles P-C4'-P energy: -62.583 tors. eta vs tors. theta energy: -117.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1149.770443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.770443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.770443 (E_RNA) where: Base-Base interactions energy: -776.095 where: short stacking energy: -338.227 Base-Backbone interact. energy: 2.434 local terms energy: -376.109596 where: bonds (distance) C4'-P energy: -62.609 bonds (distance) P-C4' energy: -73.264 flat angles C4'-P-C4' energy: -89.257 flat angles P-C4'-P energy: -49.092 tors. eta vs tors. theta energy: -101.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -987.795432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.795432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.795432 (E_RNA) where: Base-Base interactions energy: -643.473 where: short stacking energy: -283.048 Base-Backbone interact. energy: -1.276 local terms energy: -343.046156 where: bonds (distance) C4'-P energy: -75.583 bonds (distance) P-C4' energy: -67.659 flat angles C4'-P-C4' energy: -82.804 flat angles P-C4'-P energy: -44.544 tors. eta vs tors. theta energy: -72.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -825.241322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.241322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.241322 (E_RNA) where: Base-Base interactions energy: -513.850 where: short stacking energy: -253.296 Base-Backbone interact. energy: -0.762 local terms energy: -310.629585 where: bonds (distance) C4'-P energy: -53.193 bonds (distance) P-C4' energy: -73.306 flat angles C4'-P-C4' energy: -84.296 flat angles P-C4'-P energy: -43.204 tors. eta vs tors. theta energy: -56.631 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: 10 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -613.526284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.526284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.526284 (E_RNA) where: Base-Base interactions energy: -371.596 where: short stacking energy: -189.557 Base-Backbone interact. energy: -4.159 local terms energy: -237.771627 where: bonds (distance) C4'-P energy: -60.832 bonds (distance) P-C4' energy: -57.127 flat angles C4'-P-C4' energy: -53.304 flat angles P-C4'-P energy: -44.065 tors. eta vs tors. theta energy: -22.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -492.378358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.378358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.378358 (E_RNA) where: Base-Base interactions energy: -255.417 where: short stacking energy: -152.210 Base-Backbone interact. energy: -0.223 local terms energy: -236.738399 where: bonds (distance) C4'-P energy: -63.548 bonds (distance) P-C4' energy: -64.984 flat angles C4'-P-C4' energy: -57.418 flat angles P-C4'-P energy: -28.119 tors. eta vs tors. theta energy: -22.670 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: 5 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -325.479192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.479192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.479192 (E_RNA) where: Base-Base interactions energy: -129.759 where: short stacking energy: -88.779 Base-Backbone interact. energy: 1.624 local terms energy: -197.343668 where: bonds (distance) C4'-P energy: -62.220 bonds (distance) P-C4' energy: -57.299 flat angles C4'-P-C4' energy: -62.162 flat angles P-C4'-P energy: -32.647 tors. eta vs tors. theta energy: 16.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1360.535500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.535500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.535500 (E_RNA) where: Base-Base interactions energy: -943.191 where: short stacking energy: -403.989 Base-Backbone interact. energy: -1.302 local terms energy: -416.041870 where: bonds (distance) C4'-P energy: -72.546 bonds (distance) P-C4' energy: -80.201 flat angles C4'-P-C4' energy: -85.374 flat angles P-C4'-P energy: -62.682 tors. eta vs tors. theta energy: -115.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1301.211827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.211827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.211827 (E_RNA) where: Base-Base interactions energy: -903.975 where: short stacking energy: -389.188 Base-Backbone interact. energy: 0.016 local terms energy: -397.253102 where: bonds (distance) C4'-P energy: -75.477 bonds (distance) P-C4' energy: -69.451 flat angles C4'-P-C4' energy: -85.631 flat angles P-C4'-P energy: -53.418 tors. eta vs tors. theta energy: -113.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1300.498507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.498507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.498507 (E_RNA) where: Base-Base interactions energy: -892.422 where: short stacking energy: -390.667 Base-Backbone interact. energy: -1.470 local terms energy: -406.606252 where: bonds (distance) C4'-P energy: -68.133 bonds (distance) P-C4' energy: -79.585 flat angles C4'-P-C4' energy: -87.666 flat angles P-C4'-P energy: -52.701 tors. eta vs tors. theta energy: -118.520 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: 143 Temperature: 1.050000 Total energy: -1237.065704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.065704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.065704 (E_RNA) where: Base-Base interactions energy: -839.159 where: short stacking energy: -399.312 Base-Backbone interact. energy: -1.861 local terms energy: -396.046642 where: bonds (distance) C4'-P energy: -69.796 bonds (distance) P-C4' energy: -67.932 flat angles C4'-P-C4' energy: -82.909 flat angles P-C4'-P energy: -57.898 tors. eta vs tors. theta energy: -117.511 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: 9 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1097.916365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.916365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.916365 (E_RNA) where: Base-Base interactions energy: -754.954 where: short stacking energy: -317.374 Base-Backbone interact. energy: -0.028 local terms energy: -342.935097 where: bonds (distance) C4'-P energy: -69.932 bonds (distance) P-C4' energy: -74.358 flat angles C4'-P-C4' energy: -75.422 flat angles P-C4'-P energy: -41.166 tors. eta vs tors. theta energy: -82.057 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: 6, replica: 8 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -946.074156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.074156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.074156 (E_RNA) where: Base-Base interactions energy: -624.156 where: short stacking energy: -282.741 Base-Backbone interact. energy: -0.194 local terms energy: -321.724386 where: bonds (distance) C4'-P energy: -63.582 bonds (distance) P-C4' energy: -63.967 flat angles C4'-P-C4' energy: -69.091 flat angles P-C4'-P energy: -50.553 tors. eta vs tors. theta energy: -74.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -771.463471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.463471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.463471 (E_RNA) where: Base-Base interactions energy: -466.248 where: short stacking energy: -224.760 Base-Backbone interact. energy: -0.687 local terms energy: -304.528389 where: bonds (distance) C4'-P energy: -78.990 bonds (distance) P-C4' energy: -64.119 flat angles C4'-P-C4' energy: -67.396 flat angles P-C4'-P energy: -48.430 tors. eta vs tors. theta energy: -45.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -621.967631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.967631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.967631 (E_RNA) where: Base-Base interactions energy: -339.710 where: short stacking energy: -194.534 Base-Backbone interact. energy: 0.304 local terms energy: -282.562480 where: bonds (distance) C4'-P energy: -63.475 bonds (distance) P-C4' energy: -71.064 flat angles C4'-P-C4' energy: -72.695 flat angles P-C4'-P energy: -38.618 tors. eta vs tors. theta energy: -36.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -499.449831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.449831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.449831 (E_RNA) where: Base-Base interactions energy: -266.052 where: short stacking energy: -142.032 Base-Backbone interact. energy: -1.697 local terms energy: -231.701175 where: bonds (distance) C4'-P energy: -62.734 bonds (distance) P-C4' energy: -63.777 flat angles C4'-P-C4' energy: -58.094 flat angles P-C4'-P energy: -46.894 tors. eta vs tors. theta energy: -0.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -328.374229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.374229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.374229 (E_RNA) where: Base-Base interactions energy: -113.915 where: short stacking energy: -86.372 Base-Backbone interact. energy: 0.625 local terms energy: -215.083360 where: bonds (distance) C4'-P energy: -59.944 bonds (distance) P-C4' energy: -67.428 flat angles C4'-P-C4' energy: -62.976 flat angles P-C4'-P energy: -34.679 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: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1381.854307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.854307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.854307 (E_RNA) where: Base-Base interactions energy: -942.138 where: short stacking energy: -399.035 Base-Backbone interact. energy: -0.408 local terms energy: -439.308707 where: bonds (distance) C4'-P energy: -79.401 bonds (distance) P-C4' energy: -89.569 flat angles C4'-P-C4' energy: -91.485 flat angles P-C4'-P energy: -65.749 tors. eta vs tors. theta energy: -113.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1325.779475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.779475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.779475 (E_RNA) where: Base-Base interactions energy: -897.263 where: short stacking energy: -381.060 Base-Backbone interact. energy: -2.902 local terms energy: -425.614242 where: bonds (distance) C4'-P energy: -84.586 bonds (distance) P-C4' energy: -83.653 flat angles C4'-P-C4' energy: -83.580 flat angles P-C4'-P energy: -62.025 tors. eta vs tors. theta energy: -111.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1260.553534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.553534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.553534 (E_RNA) where: Base-Base interactions energy: -858.799 where: short stacking energy: -390.347 Base-Backbone interact. energy: -0.054 local terms energy: -401.700242 where: bonds (distance) C4'-P energy: -74.391 bonds (distance) P-C4' energy: -69.142 flat angles C4'-P-C4' energy: -91.432 flat angles P-C4'-P energy: -59.069 tors. eta vs tors. theta energy: -107.666 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: 7 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1194.412381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.412381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.412381 (E_RNA) where: Base-Base interactions energy: -793.552 where: short stacking energy: -362.563 Base-Backbone interact. energy: -2.288 local terms energy: -398.572617 where: bonds (distance) C4'-P energy: -71.018 bonds (distance) P-C4' energy: -83.219 flat angles C4'-P-C4' energy: -83.282 flat angles P-C4'-P energy: -51.714 tors. eta vs tors. theta energy: -109.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1113.558110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.558110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.558110 (E_RNA) where: Base-Base interactions energy: -750.830 where: short stacking energy: -325.305 Base-Backbone interact. energy: -1.175 local terms energy: -361.552870 where: bonds (distance) C4'-P energy: -76.043 bonds (distance) P-C4' energy: -71.047 flat angles C4'-P-C4' energy: -88.005 flat angles P-C4'-P energy: -48.619 tors. eta vs tors. theta energy: -77.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -969.097408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.097408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.097408 (E_RNA) where: Base-Base interactions energy: -637.106 where: short stacking energy: -278.376 Base-Backbone interact. energy: -0.754 local terms energy: -331.236885 where: bonds (distance) C4'-P energy: -66.757 bonds (distance) P-C4' energy: -66.133 flat angles C4'-P-C4' energy: -87.354 flat angles P-C4'-P energy: -44.468 tors. eta vs tors. theta energy: -66.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -816.519348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.519348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.519348 (E_RNA) where: Base-Base interactions energy: -509.812 where: short stacking energy: -233.536 Base-Backbone interact. energy: 1.186 local terms energy: -307.893252 where: bonds (distance) C4'-P energy: -63.301 bonds (distance) P-C4' energy: -64.004 flat angles C4'-P-C4' energy: -69.235 flat angles P-C4'-P energy: -53.460 tors. eta vs tors. theta energy: -57.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -626.273485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.273485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.273485 (E_RNA) where: Base-Base interactions energy: -359.801 where: short stacking energy: -186.826 Base-Backbone interact. energy: -0.919 local terms energy: -265.553350 where: bonds (distance) C4'-P energy: -61.371 bonds (distance) P-C4' energy: -70.821 flat angles C4'-P-C4' energy: -59.306 flat angles P-C4'-P energy: -39.067 tors. eta vs tors. theta energy: -34.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -375.554123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.554123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.554123 (E_RNA) where: Base-Base interactions energy: -159.264 where: short stacking energy: -117.710 Base-Backbone interact. energy: 2.599 local terms energy: -218.889603 where: bonds (distance) C4'-P energy: -58.084 bonds (distance) P-C4' energy: -70.580 flat angles C4'-P-C4' energy: -61.225 flat angles P-C4'-P energy: -23.103 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: 1 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -482.179119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.179119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.179119 (E_RNA) where: Base-Base interactions energy: -258.433 where: short stacking energy: -132.544 Base-Backbone interact. energy: -0.054 local terms energy: -223.691933 where: bonds (distance) C4'-P energy: -62.455 bonds (distance) P-C4' energy: -64.931 flat angles C4'-P-C4' energy: -47.574 flat angles P-C4'-P energy: -38.772 tors. eta vs tors. theta energy: -9.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1380.227372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.227372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.227372 (E_RNA) where: Base-Base interactions energy: -968.306 where: short stacking energy: -417.729 Base-Backbone interact. energy: -2.931 local terms energy: -408.990277 where: bonds (distance) C4'-P energy: -68.970 bonds (distance) P-C4' energy: -70.778 flat angles C4'-P-C4' energy: -87.607 flat angles P-C4'-P energy: -61.471 tors. eta vs tors. theta energy: -120.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1348.209154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.209154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.209154 (E_RNA) where: Base-Base interactions energy: -923.715 where: short stacking energy: -407.063 Base-Backbone interact. energy: 0.310 local terms energy: -424.804044 where: bonds (distance) C4'-P energy: -83.709 bonds (distance) P-C4' energy: -80.137 flat angles C4'-P-C4' energy: -93.735 flat angles P-C4'-P energy: -58.905 tors. eta vs tors. theta energy: -108.318 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: 4 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1255.817834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.817834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.817834 (E_RNA) where: Base-Base interactions energy: -874.411 where: short stacking energy: -383.320 Base-Backbone interact. energy: 0.361 local terms energy: -381.767229 where: bonds (distance) C4'-P energy: -69.110 bonds (distance) P-C4' energy: -72.055 flat angles C4'-P-C4' energy: -85.966 flat angles P-C4'-P energy: -47.633 tors. eta vs tors. theta energy: -107.003 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: 7 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1181.098918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.098918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.098918 (E_RNA) where: Base-Base interactions energy: -776.081 where: short stacking energy: -355.982 Base-Backbone interact. energy: -1.159 local terms energy: -403.858911 where: bonds (distance) C4'-P energy: -78.491 bonds (distance) P-C4' energy: -78.417 flat angles C4'-P-C4' energy: -80.827 flat angles P-C4'-P energy: -60.314 tors. eta vs tors. theta energy: -105.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1123.592967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.592967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.592967 (E_RNA) where: Base-Base interactions energy: -778.335 where: short stacking energy: -322.295 Base-Backbone interact. energy: -0.681 local terms energy: -344.577780 where: bonds (distance) C4'-P energy: -67.996 bonds (distance) P-C4' energy: -70.064 flat angles C4'-P-C4' energy: -77.196 flat angles P-C4'-P energy: -43.404 tors. eta vs tors. theta energy: -85.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1015.993717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.993717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.993717 (E_RNA) where: Base-Base interactions energy: -713.337 where: short stacking energy: -274.056 Base-Backbone interact. energy: -2.311 local terms energy: -300.344943 where: bonds (distance) C4'-P energy: -60.636 bonds (distance) P-C4' energy: -55.712 flat angles C4'-P-C4' energy: -71.671 flat angles P-C4'-P energy: -41.987 tors. eta vs tors. theta energy: -70.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -816.041472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.041472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.041472 (E_RNA) where: Base-Base interactions energy: -498.309 where: short stacking energy: -250.409 Base-Backbone interact. energy: 1.268 local terms energy: -319.001049 where: bonds (distance) C4'-P energy: -71.770 bonds (distance) P-C4' energy: -86.791 flat angles C4'-P-C4' energy: -60.886 flat angles P-C4'-P energy: -43.481 tors. eta vs tors. theta energy: -56.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -620.420565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.420565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.420565 (E_RNA) where: Base-Base interactions energy: -371.088 where: short stacking energy: -180.268 Base-Backbone interact. energy: 1.248 local terms energy: -250.580167 where: bonds (distance) C4'-P energy: -71.040 bonds (distance) P-C4' energy: -72.117 flat angles C4'-P-C4' energy: -63.548 flat angles P-C4'-P energy: -29.914 tors. eta vs tors. theta energy: -13.961 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: 5 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -324.882556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.882556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.882556 (E_RNA) where: Base-Base interactions energy: -102.810 where: short stacking energy: -98.656 Base-Backbone interact. energy: 5.215 local terms energy: -227.287087 where: bonds (distance) C4'-P energy: -67.082 bonds (distance) P-C4' energy: -58.904 flat angles C4'-P-C4' energy: -63.577 flat angles P-C4'-P energy: -52.671 tors. eta vs tors. theta energy: 14.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -506.893668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.893668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.893668 (E_RNA) where: Base-Base interactions energy: -286.608 where: short stacking energy: -144.319 Base-Backbone interact. energy: -0.101 local terms energy: -220.184705 where: bonds (distance) C4'-P energy: -57.660 bonds (distance) P-C4' energy: -68.594 flat angles C4'-P-C4' energy: -46.157 flat angles P-C4'-P energy: -39.491 tors. eta vs tors. theta energy: -8.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1361.293624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.293624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.293624 (E_RNA) where: Base-Base interactions energy: -945.145 where: short stacking energy: -406.880 Base-Backbone interact. energy: 1.344 local terms energy: -417.492688 where: bonds (distance) C4'-P energy: -79.568 bonds (distance) P-C4' energy: -76.858 flat angles C4'-P-C4' energy: -93.344 flat angles P-C4'-P energy: -59.766 tors. eta vs tors. theta energy: -107.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1342.458411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.458411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.458411 (E_RNA) where: Base-Base interactions energy: -926.659 where: short stacking energy: -392.675 Base-Backbone interact. energy: -3.121 local terms energy: -412.678160 where: bonds (distance) C4'-P energy: -71.850 bonds (distance) P-C4' energy: -71.763 flat angles C4'-P-C4' energy: -91.970 flat angles P-C4'-P energy: -57.915 tors. eta vs tors. theta energy: -119.180 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: 3, replica: 4 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1256.100563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.100563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.100563 (E_RNA) where: Base-Base interactions energy: -870.591 where: short stacking energy: -381.347 Base-Backbone interact. energy: -1.524 local terms energy: -383.985974 where: bonds (distance) C4'-P energy: -65.667 bonds (distance) P-C4' energy: -85.101 flat angles C4'-P-C4' energy: -79.847 flat angles P-C4'-P energy: -53.063 tors. eta vs tors. theta energy: -100.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1212.987564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.987564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.987564 (E_RNA) where: Base-Base interactions energy: -831.507 where: short stacking energy: -369.693 Base-Backbone interact. energy: -1.011 local terms energy: -380.469635 where: bonds (distance) C4'-P energy: -76.416 bonds (distance) P-C4' energy: -67.974 flat angles C4'-P-C4' energy: -75.422 flat angles P-C4'-P energy: -49.648 tors. eta vs tors. theta energy: -111.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1111.637691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.637691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.637691 (E_RNA) where: Base-Base interactions energy: -733.554 where: short stacking energy: -323.946 Base-Backbone interact. energy: -2.804 local terms energy: -375.279450 where: bonds (distance) C4'-P energy: -70.401 bonds (distance) P-C4' energy: -75.297 flat angles C4'-P-C4' energy: -77.183 flat angles P-C4'-P energy: -58.687 tors. eta vs tors. theta energy: -93.712 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: 8 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -978.628044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.628044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.628044 (E_RNA) where: Base-Base interactions energy: -652.063 where: short stacking energy: -281.665 Base-Backbone interact. energy: -4.586 local terms energy: -321.978354 where: bonds (distance) C4'-P energy: -54.280 bonds (distance) P-C4' energy: -69.703 flat angles C4'-P-C4' energy: -74.805 flat angles P-C4'-P energy: -49.787 tors. eta vs tors. theta energy: -73.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -850.275079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.275079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.275079 (E_RNA) where: Base-Base interactions energy: -533.847 where: short stacking energy: -250.873 Base-Backbone interact. energy: -0.827 local terms energy: -315.600714 where: bonds (distance) C4'-P energy: -71.603 bonds (distance) P-C4' energy: -70.670 flat angles C4'-P-C4' energy: -71.087 flat angles P-C4'-P energy: -34.881 tors. eta vs tors. theta energy: -67.360 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: 10 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -665.266445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.266445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.266445 (E_RNA) where: Base-Base interactions energy: -408.505 where: short stacking energy: -200.165 Base-Backbone interact. energy: -1.574 local terms energy: -255.187542 where: bonds (distance) C4'-P energy: -54.519 bonds (distance) P-C4' energy: -77.649 flat angles C4'-P-C4' energy: -45.535 flat angles P-C4'-P energy: -36.735 tors. eta vs tors. theta energy: -40.750 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: 1 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -480.155485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.155485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.155485 (E_RNA) where: Base-Base interactions energy: -237.312 where: short stacking energy: -149.550 Base-Backbone interact. energy: 2.173 local terms energy: -245.016696 where: bonds (distance) C4'-P energy: -65.069 bonds (distance) P-C4' energy: -78.248 flat angles C4'-P-C4' energy: -54.243 flat angles P-C4'-P energy: -30.507 tors. eta vs tors. theta energy: -16.950 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: 10, replica: 5 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -331.673235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.673235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.673235 (E_RNA) where: Base-Base interactions energy: -143.844 where: short stacking energy: -126.911 Base-Backbone interact. energy: 2.619 local terms energy: -190.447533 where: bonds (distance) C4'-P energy: -52.990 bonds (distance) P-C4' energy: -70.108 flat angles C4'-P-C4' energy: -50.367 flat angles P-C4'-P energy: -22.335 tors. eta vs tors. theta energy: 5.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1360.529070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.529070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.529070 (E_RNA) where: Base-Base interactions energy: -958.699 where: short stacking energy: -402.565 Base-Backbone interact. energy: -1.946 local terms energy: -399.884647 where: bonds (distance) C4'-P energy: -75.932 bonds (distance) P-C4' energy: -80.373 flat angles C4'-P-C4' energy: -81.097 flat angles P-C4'-P energy: -52.849 tors. eta vs tors. theta energy: -109.634 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: 2 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1336.920936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.920936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.920936 (E_RNA) where: Base-Base interactions energy: -908.970 where: short stacking energy: -406.571 Base-Backbone interact. energy: -1.265 local terms energy: -426.686360 where: bonds (distance) C4'-P energy: -82.809 bonds (distance) P-C4' energy: -73.197 flat angles C4'-P-C4' energy: -90.990 flat angles P-C4'-P energy: -62.785 tors. eta vs tors. theta energy: -116.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1277.595353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.595353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.595353 (E_RNA) where: Base-Base interactions energy: -876.861 where: short stacking energy: -385.536 Base-Backbone interact. energy: -1.625 local terms energy: -399.109418 where: bonds (distance) C4'-P energy: -79.985 bonds (distance) P-C4' energy: -69.388 flat angles C4'-P-C4' energy: -86.365 flat angles P-C4'-P energy: -52.641 tors. eta vs tors. theta energy: -110.730 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: 7 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1237.798935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.798935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.798935 (E_RNA) where: Base-Base interactions energy: -850.654 where: short stacking energy: -380.760 Base-Backbone interact. energy: -1.034 local terms energy: -386.110756 where: bonds (distance) C4'-P energy: -68.905 bonds (distance) P-C4' energy: -72.572 flat angles C4'-P-C4' energy: -82.563 flat angles P-C4'-P energy: -48.136 tors. eta vs tors. theta energy: -113.935 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: 9 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1096.076052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.076052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.076052 (E_RNA) where: Base-Base interactions energy: -738.219 where: short stacking energy: -321.325 Base-Backbone interact. energy: -1.853 local terms energy: -356.003571 where: bonds (distance) C4'-P energy: -72.719 bonds (distance) P-C4' energy: -70.933 flat angles C4'-P-C4' energy: -78.193 flat angles P-C4'-P energy: -45.532 tors. eta vs tors. theta energy: -88.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1014.210003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.210003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.210003 (E_RNA) where: Base-Base interactions energy: -678.992 where: short stacking energy: -311.147 Base-Backbone interact. energy: -1.363 local terms energy: -333.854219 where: bonds (distance) C4'-P energy: -63.680 bonds (distance) P-C4' energy: -71.366 flat angles C4'-P-C4' energy: -78.743 flat angles P-C4'-P energy: -44.934 tors. eta vs tors. theta energy: -75.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -845.190004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.190004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.190004 (E_RNA) where: Base-Base interactions energy: -535.364 where: short stacking energy: -260.977 Base-Backbone interact. energy: -0.998 local terms energy: -308.827603 where: bonds (distance) C4'-P energy: -66.941 bonds (distance) P-C4' energy: -69.417 flat angles C4'-P-C4' energy: -64.069 flat angles P-C4'-P energy: -48.657 tors. eta vs tors. theta energy: -59.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -691.000981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.000981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.000981 (E_RNA) where: Base-Base interactions energy: -424.112 where: short stacking energy: -208.803 Base-Backbone interact. energy: -1.700 local terms energy: -265.189028 where: bonds (distance) C4'-P energy: -60.824 bonds (distance) P-C4' energy: -86.948 flat angles C4'-P-C4' energy: -63.933 flat angles P-C4'-P energy: -16.560 tors. eta vs tors. theta energy: -36.925 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: 1 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -453.501028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.501028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.501028 (E_RNA) where: Base-Base interactions energy: -198.045 where: short stacking energy: -122.932 Base-Backbone interact. energy: 3.445 local terms energy: -258.901699 where: bonds (distance) C4'-P energy: -73.949 bonds (distance) P-C4' energy: -80.930 flat angles C4'-P-C4' energy: -56.554 flat angles P-C4'-P energy: -37.703 tors. eta vs tors. theta energy: -9.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -357.266042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.266042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.266042 (E_RNA) where: Base-Base interactions energy: -124.436 where: short stacking energy: -86.371 Base-Backbone interact. energy: -0.740 local terms energy: -232.089832 where: bonds (distance) C4'-P energy: -68.926 bonds (distance) P-C4' energy: -60.772 flat angles C4'-P-C4' energy: -66.050 flat angles P-C4'-P energy: -37.382 tors. eta vs tors. theta energy: 1.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1357.202198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.202198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.202198 (E_RNA) where: Base-Base interactions energy: -927.826 where: short stacking energy: -411.367 Base-Backbone interact. energy: -0.676 local terms energy: -428.699511 where: bonds (distance) C4'-P energy: -81.252 bonds (distance) P-C4' energy: -78.100 flat angles C4'-P-C4' energy: -91.936 flat angles P-C4'-P energy: -56.671 tors. eta vs tors. theta energy: -120.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1319.571791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.571791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.571791 (E_RNA) where: Base-Base interactions energy: -915.327 where: short stacking energy: -397.828 Base-Backbone interact. energy: -1.124 local terms energy: -403.121159 where: bonds (distance) C4'-P energy: -79.373 bonds (distance) P-C4' energy: -66.995 flat angles C4'-P-C4' energy: -83.018 flat angles P-C4'-P energy: -61.050 tors. eta vs tors. theta energy: -112.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1269.017438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.017438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.017438 (E_RNA) where: Base-Base interactions energy: -880.079 where: short stacking energy: -384.920 Base-Backbone interact. energy: -1.537 local terms energy: -387.401456 where: bonds (distance) C4'-P energy: -73.633 bonds (distance) P-C4' energy: -69.229 flat angles C4'-P-C4' energy: -82.667 flat angles P-C4'-P energy: -53.410 tors. eta vs tors. theta energy: -108.462 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: 7 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1223.655113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.655113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.655113 (E_RNA) where: Base-Base interactions energy: -834.165 where: short stacking energy: -369.251 Base-Backbone interact. energy: 0.103 local terms energy: -389.593009 where: bonds (distance) C4'-P energy: -68.024 bonds (distance) P-C4' energy: -82.650 flat angles C4'-P-C4' energy: -79.594 flat angles P-C4'-P energy: -54.432 tors. eta vs tors. theta energy: -104.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1077.624722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.624722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.624722 (E_RNA) where: Base-Base interactions energy: -719.713 where: short stacking energy: -322.538 Base-Backbone interact. energy: 0.108 local terms energy: -358.018904 where: bonds (distance) C4'-P energy: -77.535 bonds (distance) P-C4' energy: -67.036 flat angles C4'-P-C4' energy: -82.724 flat angles P-C4'-P energy: -47.985 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: 6, replica: 8 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1012.098947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.098947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.098947 (E_RNA) where: Base-Base interactions energy: -672.563 where: short stacking energy: -306.560 Base-Backbone interact. energy: -1.518 local terms energy: -338.018114 where: bonds (distance) C4'-P energy: -63.015 bonds (distance) P-C4' energy: -65.672 flat angles C4'-P-C4' energy: -71.039 flat angles P-C4'-P energy: -56.078 tors. eta vs tors. theta energy: -82.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -836.644305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.644305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.644305 (E_RNA) where: Base-Base interactions energy: -508.007 where: short stacking energy: -242.181 Base-Backbone interact. energy: -1.832 local terms energy: -326.805059 where: bonds (distance) C4'-P energy: -76.901 bonds (distance) P-C4' energy: -68.936 flat angles C4'-P-C4' energy: -73.675 flat angles P-C4'-P energy: -47.184 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: 8, replica: 10 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -702.256938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.256938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.256938 (E_RNA) where: Base-Base interactions energy: -438.536 where: short stacking energy: -210.515 Base-Backbone interact. energy: -1.249 local terms energy: -262.471140 where: bonds (distance) C4'-P energy: -57.874 bonds (distance) P-C4' energy: -66.691 flat angles C4'-P-C4' energy: -67.840 flat angles P-C4'-P energy: -38.310 tors. eta vs tors. theta energy: -31.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -420.339311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.339311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.339311 (E_RNA) where: Base-Base interactions energy: -212.577 where: short stacking energy: -134.325 Base-Backbone interact. energy: 0.875 local terms energy: -208.636838 where: bonds (distance) C4'-P energy: -63.812 bonds (distance) P-C4' energy: -51.813 flat angles C4'-P-C4' energy: -54.958 flat angles P-C4'-P energy: -39.310 tors. eta vs tors. theta energy: 1.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -338.772376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.772376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.772376 (E_RNA) where: Base-Base interactions energy: -120.352 where: short stacking energy: -102.162 Base-Backbone interact. energy: 1.614 local terms energy: -220.034387 where: bonds (distance) C4'-P energy: -64.879 bonds (distance) P-C4' energy: -58.968 flat angles C4'-P-C4' energy: -53.882 flat angles P-C4'-P energy: -45.824 tors. eta vs tors. theta energy: 3.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1364.912228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.912228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.912228 (E_RNA) where: Base-Base interactions energy: -928.684 where: short stacking energy: -415.661 Base-Backbone interact. energy: -4.253 local terms energy: -431.974986 where: bonds (distance) C4'-P energy: -83.438 bonds (distance) P-C4' energy: -74.993 flat angles C4'-P-C4' energy: -87.288 flat angles P-C4'-P energy: -67.360 tors. eta vs tors. theta energy: -118.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1319.558744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.558744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.558744 (E_RNA) where: Base-Base interactions energy: -917.674 where: short stacking energy: -401.247 Base-Backbone interact. energy: -2.236 local terms energy: -399.649083 where: bonds (distance) C4'-P energy: -67.934 bonds (distance) P-C4' energy: -75.399 flat angles C4'-P-C4' energy: -87.173 flat angles P-C4'-P energy: -58.094 tors. eta vs tors. theta energy: -111.049 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: 149 Temperature: 1.000000 Total energy: -1268.922447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.922447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.922447 (E_RNA) where: Base-Base interactions energy: -867.475 where: short stacking energy: -386.386 Base-Backbone interact. energy: -0.238 local terms energy: -401.209606 where: bonds (distance) C4'-P energy: -64.747 bonds (distance) P-C4' energy: -79.793 flat angles C4'-P-C4' energy: -89.553 flat angles P-C4'-P energy: -50.928 tors. eta vs tors. theta energy: -116.189 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: 7 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1213.482894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.482894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.482894 (E_RNA) where: Base-Base interactions energy: -817.366 where: short stacking energy: -355.505 Base-Backbone interact. energy: -1.933 local terms energy: -394.184518 where: bonds (distance) C4'-P energy: -72.391 bonds (distance) P-C4' energy: -63.422 flat angles C4'-P-C4' energy: -87.899 flat angles P-C4'-P energy: -60.109 tors. eta vs tors. theta energy: -110.363 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: 9 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1105.555089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.555089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.555089 (E_RNA) where: Base-Base interactions energy: -760.105 where: short stacking energy: -345.674 Base-Backbone interact. energy: -1.589 local terms energy: -343.861665 where: bonds (distance) C4'-P energy: -62.017 bonds (distance) P-C4' energy: -77.452 flat angles C4'-P-C4' energy: -73.647 flat angles P-C4'-P energy: -46.761 tors. eta vs tors. theta energy: -83.984 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: 6, replica: 8 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1004.299886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.299886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.299886 (E_RNA) where: Base-Base interactions energy: -687.305 where: short stacking energy: -295.225 Base-Backbone interact. energy: -1.016 local terms energy: -315.978229 where: bonds (distance) C4'-P energy: -71.742 bonds (distance) P-C4' energy: -56.065 flat angles C4'-P-C4' energy: -77.778 flat angles P-C4'-P energy: -41.597 tors. eta vs tors. theta energy: -68.796 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: 7, replica: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -773.643262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.643262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.643262 (E_RNA) where: Base-Base interactions energy: -459.456 where: short stacking energy: -214.827 Base-Backbone interact. energy: 0.275 local terms energy: -314.462527 where: bonds (distance) C4'-P energy: -73.689 bonds (distance) P-C4' energy: -76.689 flat angles C4'-P-C4' energy: -74.795 flat angles P-C4'-P energy: -47.955 tors. eta vs tors. theta energy: -41.335 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: 10 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -701.209052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.209052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.209052 (E_RNA) where: Base-Base interactions energy: -433.290 where: short stacking energy: -203.142 Base-Backbone interact. energy: -1.374 local terms energy: -266.545049 where: bonds (distance) C4'-P energy: -67.252 bonds (distance) P-C4' energy: -56.909 flat angles C4'-P-C4' energy: -66.274 flat angles P-C4'-P energy: -43.537 tors. eta vs tors. theta energy: -32.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -448.212312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.212312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.212312 (E_RNA) where: Base-Base interactions energy: -230.574 where: short stacking energy: -142.329 Base-Backbone interact. energy: -1.091 local terms energy: -216.546603 where: bonds (distance) C4'-P energy: -57.823 bonds (distance) P-C4' energy: -50.979 flat angles C4'-P-C4' energy: -59.520 flat angles P-C4'-P energy: -44.916 tors. eta vs tors. theta energy: -3.309 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: 5 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -329.172277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.172277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.172277 (E_RNA) where: Base-Base interactions energy: -126.458 where: short stacking energy: -117.747 Base-Backbone interact. energy: -1.001 local terms energy: -201.713616 where: bonds (distance) C4'-P energy: -64.437 bonds (distance) P-C4' energy: -62.952 flat angles C4'-P-C4' energy: -55.937 flat angles P-C4'-P energy: -27.564 tors. eta vs tors. theta energy: 9.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1366.457258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.457258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.457258 (E_RNA) where: Base-Base interactions energy: -916.055 where: short stacking energy: -409.692 Base-Backbone interact. energy: -3.515 local terms energy: -446.887628 where: bonds (distance) C4'-P energy: -85.405 bonds (distance) P-C4' energy: -83.825 flat angles C4'-P-C4' energy: -91.298 flat angles P-C4'-P energy: -64.267 tors. eta vs tors. theta energy: -122.094 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: 3 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1335.916073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.916073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.916073 (E_RNA) where: Base-Base interactions energy: -925.307 where: short stacking energy: -394.048 Base-Backbone interact. energy: -0.126 local terms energy: -410.482492 where: bonds (distance) C4'-P energy: -70.778 bonds (distance) P-C4' energy: -76.907 flat angles C4'-P-C4' energy: -92.696 flat angles P-C4'-P energy: -53.194 tors. eta vs tors. theta energy: -116.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1259.724707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.724707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.724707 (E_RNA) where: Base-Base interactions energy: -869.300 where: short stacking energy: -389.522 Base-Backbone interact. energy: -0.051 local terms energy: -390.373747 where: bonds (distance) C4'-P energy: -69.579 bonds (distance) P-C4' energy: -69.200 flat angles C4'-P-C4' energy: -85.116 flat angles P-C4'-P energy: -56.418 tors. eta vs tors. theta energy: -110.060 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: 4, replica: 7 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1228.880859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.880859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.880859 (E_RNA) where: Base-Base interactions energy: -854.074 where: short stacking energy: -376.355 Base-Backbone interact. energy: -0.970 local terms energy: -373.836901 where: bonds (distance) C4'-P energy: -67.233 bonds (distance) P-C4' energy: -68.338 flat angles C4'-P-C4' energy: -73.687 flat angles P-C4'-P energy: -48.516 tors. eta vs tors. theta energy: -116.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1107.854882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.854882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.854882 (E_RNA) where: Base-Base interactions energy: -739.591 where: short stacking energy: -323.834 Base-Backbone interact. energy: -4.046 local terms energy: -364.218642 where: bonds (distance) C4'-P energy: -54.933 bonds (distance) P-C4' energy: -77.379 flat angles C4'-P-C4' energy: -93.266 flat angles P-C4'-P energy: -42.017 tors. eta vs tors. theta energy: -96.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1004.241331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.241331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.241331 (E_RNA) where: Base-Base interactions energy: -665.487 where: short stacking energy: -262.383 Base-Backbone interact. energy: -0.298 local terms energy: -338.456094 where: bonds (distance) C4'-P energy: -71.376 bonds (distance) P-C4' energy: -66.395 flat angles C4'-P-C4' energy: -72.393 flat angles P-C4'-P energy: -52.184 tors. eta vs tors. theta energy: -76.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -801.535362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.535362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.535362 (E_RNA) where: Base-Base interactions energy: -499.950 where: short stacking energy: -242.338 Base-Backbone interact. energy: -3.092 local terms energy: -298.493422 where: bonds (distance) C4'-P energy: -71.025 bonds (distance) P-C4' energy: -71.155 flat angles C4'-P-C4' energy: -69.585 flat angles P-C4'-P energy: -39.837 tors. eta vs tors. theta energy: -46.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -726.950386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.950386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.950386 (E_RNA) where: Base-Base interactions energy: -435.216 where: short stacking energy: -210.812 Base-Backbone interact. energy: -0.932 local terms energy: -290.801994 where: bonds (distance) C4'-P energy: -79.458 bonds (distance) P-C4' energy: -66.109 flat angles C4'-P-C4' energy: -69.371 flat angles P-C4'-P energy: -36.243 tors. eta vs tors. theta energy: -39.622 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: 1 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -420.165717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.165717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.165717 (E_RNA) where: Base-Base interactions energy: -176.259 where: short stacking energy: -111.865 Base-Backbone interact. energy: 1.111 local terms energy: -245.018052 where: bonds (distance) C4'-P energy: -69.040 bonds (distance) P-C4' energy: -79.372 flat angles C4'-P-C4' energy: -49.079 flat angles P-C4'-P energy: -46.530 tors. eta vs tors. theta energy: -0.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -307.835301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.835301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.835301 (E_RNA) where: Base-Base interactions energy: -100.793 where: short stacking energy: -92.480 Base-Backbone interact. energy: 1.473 local terms energy: -208.515291 where: bonds (distance) C4'-P energy: -60.893 bonds (distance) P-C4' energy: -59.037 flat angles C4'-P-C4' energy: -55.094 flat angles P-C4'-P energy: -28.429 tors. eta vs tors. theta energy: -5.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1371.114894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.114894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.114894 (E_RNA) where: Base-Base interactions energy: -943.326 where: short stacking energy: -407.372 Base-Backbone interact. energy: -0.741 local terms energy: -427.047055 where: bonds (distance) C4'-P energy: -70.758 bonds (distance) P-C4' energy: -84.572 flat angles C4'-P-C4' energy: -90.501 flat angles P-C4'-P energy: -55.920 tors. eta vs tors. theta energy: -125.296 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: 3 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1339.955450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.955450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.955450 (E_RNA) where: Base-Base interactions energy: -917.190 where: short stacking energy: -402.643 Base-Backbone interact. energy: -2.831 local terms energy: -419.934019 where: bonds (distance) C4'-P energy: -72.470 bonds (distance) P-C4' energy: -75.994 flat angles C4'-P-C4' energy: -84.574 flat angles P-C4'-P energy: -68.501 tors. eta vs tors. theta energy: -118.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1258.431123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.431123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.431123 (E_RNA) where: Base-Base interactions energy: -856.412 where: short stacking energy: -377.931 Base-Backbone interact. energy: -0.351 local terms energy: -401.668396 where: bonds (distance) C4'-P energy: -73.639 bonds (distance) P-C4' energy: -74.754 flat angles C4'-P-C4' energy: -82.650 flat angles P-C4'-P energy: -61.501 tors. eta vs tors. theta energy: -109.125 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: 151 Temperature: 1.050000 Total energy: -1233.515571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.515571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.515571 (E_RNA) where: Base-Base interactions energy: -837.887 where: short stacking energy: -380.699 Base-Backbone interact. energy: -0.268 local terms energy: -395.360555 where: bonds (distance) C4'-P energy: -65.056 bonds (distance) P-C4' energy: -77.181 flat angles C4'-P-C4' energy: -82.961 flat angles P-C4'-P energy: -52.523 tors. eta vs tors. theta energy: -117.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1113.542661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.542661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.542661 (E_RNA) where: Base-Base interactions energy: -764.387 where: short stacking energy: -325.854 Base-Backbone interact. energy: -0.422 local terms energy: -348.734273 where: bonds (distance) C4'-P energy: -65.845 bonds (distance) P-C4' energy: -70.044 flat angles C4'-P-C4' energy: -83.900 flat angles P-C4'-P energy: -39.229 tors. eta vs tors. theta energy: -89.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1056.356025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.356025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.356025 (E_RNA) where: Base-Base interactions energy: -726.564 where: short stacking energy: -289.222 Base-Backbone interact. energy: -0.653 local terms energy: -329.138974 where: bonds (distance) C4'-P energy: -57.120 bonds (distance) P-C4' energy: -73.981 flat angles C4'-P-C4' energy: -70.753 flat angles P-C4'-P energy: -51.447 tors. eta vs tors. theta energy: -75.838 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: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -855.863645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.863645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.863645 (E_RNA) where: Base-Base interactions energy: -557.224 where: short stacking energy: -268.177 Base-Backbone interact. energy: -1.213 local terms energy: -297.426929 where: bonds (distance) C4'-P energy: -55.134 bonds (distance) P-C4' energy: -72.234 flat angles C4'-P-C4' energy: -72.091 flat angles P-C4'-P energy: -37.599 tors. eta vs tors. theta energy: -60.369 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: 151 Temperature: 1.250000 Total energy: -702.508485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.508485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.508485 (E_RNA) where: Base-Base interactions energy: -428.737 where: short stacking energy: -195.674 Base-Backbone interact. energy: 1.142 local terms energy: -274.913978 where: bonds (distance) C4'-P energy: -61.604 bonds (distance) P-C4' energy: -59.485 flat angles C4'-P-C4' energy: -66.135 flat angles P-C4'-P energy: -46.569 tors. eta vs tors. theta energy: -41.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -479.321792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.321792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.321792 (E_RNA) where: Base-Base interactions energy: -249.917 where: short stacking energy: -125.680 Base-Backbone interact. energy: -0.377 local terms energy: -229.028545 where: bonds (distance) C4'-P energy: -52.383 bonds (distance) P-C4' energy: -69.901 flat angles C4'-P-C4' energy: -61.378 flat angles P-C4'-P energy: -40.957 tors. eta vs tors. theta energy: -4.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -319.230818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.230818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.230818 (E_RNA) where: Base-Base interactions energy: -131.603 where: short stacking energy: -101.506 Base-Backbone interact. energy: 0.630 local terms energy: -188.257997 where: bonds (distance) C4'-P energy: -62.261 bonds (distance) P-C4' energy: -69.407 flat angles C4'-P-C4' energy: -42.669 flat angles P-C4'-P energy: -23.545 tors. eta vs tors. theta energy: 9.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1371.123371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.123371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.123371 (E_RNA) where: Base-Base interactions energy: -926.692 where: short stacking energy: -417.212 Base-Backbone interact. energy: -2.037 local terms energy: -442.394469 where: bonds (distance) C4'-P energy: -82.501 bonds (distance) P-C4' energy: -83.261 flat angles C4'-P-C4' energy: -88.496 flat angles P-C4'-P energy: -62.353 tors. eta vs tors. theta energy: -125.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1354.882514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.882514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.882514 (E_RNA) where: Base-Base interactions energy: -934.313 where: short stacking energy: -401.945 Base-Backbone interact. energy: -1.744 local terms energy: -418.825287 where: bonds (distance) C4'-P energy: -74.003 bonds (distance) P-C4' energy: -81.272 flat angles C4'-P-C4' energy: -95.434 flat angles P-C4'-P energy: -58.229 tors. eta vs tors. theta energy: -109.887 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: 4 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1252.960708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.960708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.960708 (E_RNA) where: Base-Base interactions energy: -874.639 where: short stacking energy: -401.218 Base-Backbone interact. energy: -0.733 local terms energy: -377.589045 where: bonds (distance) C4'-P energy: -69.377 bonds (distance) P-C4' energy: -72.284 flat angles C4'-P-C4' energy: -73.375 flat angles P-C4'-P energy: -49.460 tors. eta vs tors. theta energy: -113.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1229.657411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.657411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.657411 (E_RNA) where: Base-Base interactions energy: -837.490 where: short stacking energy: -364.102 Base-Backbone interact. energy: 0.299 local terms energy: -392.466499 where: bonds (distance) C4'-P energy: -83.497 bonds (distance) P-C4' energy: -66.159 flat angles C4'-P-C4' energy: -83.145 flat angles P-C4'-P energy: -50.108 tors. eta vs tors. theta energy: -109.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1077.562345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.562345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.562345 (E_RNA) where: Base-Base interactions energy: -721.521 where: short stacking energy: -306.908 Base-Backbone interact. energy: -0.681 local terms energy: -355.360167 where: bonds (distance) C4'-P energy: -70.503 bonds (distance) P-C4' energy: -80.677 flat angles C4'-P-C4' energy: -76.467 flat angles P-C4'-P energy: -46.596 tors. eta vs tors. theta energy: -81.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1058.551157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.551157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.551157 (E_RNA) where: Base-Base interactions energy: -711.922 where: short stacking energy: -301.352 Base-Backbone interact. energy: -2.670 local terms energy: -343.959928 where: bonds (distance) C4'-P energy: -73.405 bonds (distance) P-C4' energy: -62.249 flat angles C4'-P-C4' energy: -72.373 flat angles P-C4'-P energy: -50.571 tors. eta vs tors. theta energy: -85.362 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: 7, replica: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -827.180268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.180268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.180268 (E_RNA) where: Base-Base interactions energy: -508.824 where: short stacking energy: -232.144 Base-Backbone interact. energy: -2.025 local terms energy: -316.331608 where: bonds (distance) C4'-P energy: -79.669 bonds (distance) P-C4' energy: -71.049 flat angles C4'-P-C4' energy: -61.710 flat angles P-C4'-P energy: -52.706 tors. eta vs tors. theta energy: -51.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -713.340484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.340484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.340484 (E_RNA) where: Base-Base interactions energy: -451.076 where: short stacking energy: -217.168 Base-Backbone interact. energy: 0.017 local terms energy: -262.282302 where: bonds (distance) C4'-P energy: -59.087 bonds (distance) P-C4' energy: -68.289 flat angles C4'-P-C4' energy: -56.270 flat angles P-C4'-P energy: -35.662 tors. eta vs tors. theta energy: -42.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -523.054646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.054646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.054646 (E_RNA) where: Base-Base interactions energy: -287.067 where: short stacking energy: -148.920 Base-Backbone interact. energy: -0.202 local terms energy: -235.785901 where: bonds (distance) C4'-P energy: -69.714 bonds (distance) P-C4' energy: -69.579 flat angles C4'-P-C4' energy: -58.364 flat angles P-C4'-P energy: -27.332 tors. eta vs tors. theta energy: -10.798 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: 10, replica: 5 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -336.132275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.132275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.132275 (E_RNA) where: Base-Base interactions energy: -114.780 where: short stacking energy: -104.872 Base-Backbone interact. energy: -1.426 local terms energy: -219.926041 where: bonds (distance) C4'-P energy: -62.811 bonds (distance) P-C4' energy: -67.405 flat angles C4'-P-C4' energy: -55.314 flat angles P-C4'-P energy: -35.207 tors. eta vs tors. theta energy: 0.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1386.282478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.282478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.282478 (E_RNA) where: Base-Base interactions energy: -952.350 where: short stacking energy: -413.225 Base-Backbone interact. energy: -1.177 local terms energy: -432.755123 where: bonds (distance) C4'-P energy: -77.083 bonds (distance) P-C4' energy: -83.042 flat angles C4'-P-C4' energy: -93.365 flat angles P-C4'-P energy: -54.501 tors. eta vs tors. theta energy: -124.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1364.435371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.435371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.435371 (E_RNA) where: Base-Base interactions energy: -936.787 where: short stacking energy: -407.555 Base-Backbone interact. energy: -1.821 local terms energy: -425.827049 where: bonds (distance) C4'-P energy: -78.613 bonds (distance) P-C4' energy: -71.284 flat angles C4'-P-C4' energy: -94.124 flat angles P-C4'-P energy: -62.915 tors. eta vs tors. theta energy: -118.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1259.225383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.225383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.225383 (E_RNA) where: Base-Base interactions energy: -863.057 where: short stacking energy: -391.701 Base-Backbone interact. energy: -0.677 local terms energy: -395.491092 where: bonds (distance) C4'-P energy: -62.873 bonds (distance) P-C4' energy: -75.927 flat angles C4'-P-C4' energy: -88.279 flat angles P-C4'-P energy: -57.070 tors. eta vs tors. theta energy: -111.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1225.289335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.289335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.289335 (E_RNA) where: Base-Base interactions energy: -812.720 where: short stacking energy: -390.621 Base-Backbone interact. energy: -1.871 local terms energy: -410.698666 where: bonds (distance) C4'-P energy: -64.228 bonds (distance) P-C4' energy: -82.923 flat angles C4'-P-C4' energy: -88.308 flat angles P-C4'-P energy: -58.826 tors. eta vs tors. theta energy: -116.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1064.352482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.352482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.352482 (E_RNA) where: Base-Base interactions energy: -712.511 where: short stacking energy: -301.591 Base-Backbone interact. energy: 1.814 local terms energy: -353.655673 where: bonds (distance) C4'-P energy: -61.757 bonds (distance) P-C4' energy: -76.538 flat angles C4'-P-C4' energy: -73.751 flat angles P-C4'-P energy: -58.522 tors. eta vs tors. theta energy: -83.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1096.967203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.967203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.967203 (E_RNA) where: Base-Base interactions energy: -740.439 where: short stacking energy: -312.707 Base-Backbone interact. energy: -1.907 local terms energy: -354.620851 where: bonds (distance) C4'-P energy: -71.874 bonds (distance) P-C4' energy: -62.935 flat angles C4'-P-C4' energy: -84.330 flat angles P-C4'-P energy: -53.613 tors. eta vs tors. theta energy: -81.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -887.309977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.309977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.309977 (E_RNA) where: Base-Base interactions energy: -577.743 where: short stacking energy: -268.991 Base-Backbone interact. energy: 1.955 local terms energy: -311.521720 where: bonds (distance) C4'-P energy: -57.536 bonds (distance) P-C4' energy: -70.263 flat angles C4'-P-C4' energy: -74.464 flat angles P-C4'-P energy: -49.531 tors. eta vs tors. theta energy: -59.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -756.043541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.043541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.043541 (E_RNA) where: Base-Base interactions energy: -466.896 where: short stacking energy: -232.339 Base-Backbone interact. energy: -0.297 local terms energy: -288.850607 where: bonds (distance) C4'-P energy: -61.133 bonds (distance) P-C4' energy: -71.494 flat angles C4'-P-C4' energy: -73.961 flat angles P-C4'-P energy: -37.476 tors. eta vs tors. theta energy: -44.786 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: 153 Temperature: 1.300000 Total energy: -519.011881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.011881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.011881 (E_RNA) where: Base-Base interactions energy: -287.921 where: short stacking energy: -144.644 Base-Backbone interact. energy: -0.085 local terms energy: -231.005961 where: bonds (distance) C4'-P energy: -54.863 bonds (distance) P-C4' energy: -72.347 flat angles C4'-P-C4' energy: -65.493 flat angles P-C4'-P energy: -39.820 tors. eta vs tors. theta energy: 1.517 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: 5 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -312.941956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.941956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.941956 (E_RNA) where: Base-Base interactions energy: -83.472 where: short stacking energy: -70.015 Base-Backbone interact. energy: -0.023 local terms energy: -229.446836 where: bonds (distance) C4'-P energy: -76.827 bonds (distance) P-C4' energy: -69.497 flat angles C4'-P-C4' energy: -63.385 flat angles P-C4'-P energy: -25.648 tors. eta vs tors. theta energy: 5.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1368.461211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.461211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.461211 (E_RNA) where: Base-Base interactions energy: -939.830 where: short stacking energy: -412.269 Base-Backbone interact. energy: -0.853 local terms energy: -427.778638 where: bonds (distance) C4'-P energy: -75.453 bonds (distance) P-C4' energy: -74.659 flat angles C4'-P-C4' energy: -86.030 flat angles P-C4'-P energy: -64.179 tors. eta vs tors. theta energy: -127.458 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: 3 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1352.394915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.394915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.394915 (E_RNA) where: Base-Base interactions energy: -934.385 where: short stacking energy: -402.891 Base-Backbone interact. energy: -1.666 local terms energy: -416.344140 where: bonds (distance) C4'-P energy: -79.167 bonds (distance) P-C4' energy: -67.170 flat angles C4'-P-C4' energy: -95.838 flat angles P-C4'-P energy: -57.197 tors. eta vs tors. theta energy: -116.973 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: 154 Temperature: 1.000000 Total energy: -1279.501714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.501714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.501714 (E_RNA) where: Base-Base interactions energy: -868.243 where: short stacking energy: -390.428 Base-Backbone interact. energy: -0.876 local terms energy: -410.382745 where: bonds (distance) C4'-P energy: -75.084 bonds (distance) P-C4' energy: -72.355 flat angles C4'-P-C4' energy: -90.926 flat angles P-C4'-P energy: -60.344 tors. eta vs tors. theta energy: -111.674 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: 154 Temperature: 1.050000 Total energy: -1193.624487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.624487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.624487 (E_RNA) where: Base-Base interactions energy: -794.565 where: short stacking energy: -364.117 Base-Backbone interact. energy: -1.277 local terms energy: -397.782263 where: bonds (distance) C4'-P energy: -79.218 bonds (distance) P-C4' energy: -78.105 flat angles C4'-P-C4' energy: -84.596 flat angles P-C4'-P energy: -45.639 tors. eta vs tors. theta energy: -110.224 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: 8 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1135.976125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.976125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.976125 (E_RNA) where: Base-Base interactions energy: -783.925 where: short stacking energy: -332.305 Base-Backbone interact. energy: 2.050 local terms energy: -354.101154 where: bonds (distance) C4'-P energy: -67.669 bonds (distance) P-C4' energy: -66.902 flat angles C4'-P-C4' energy: -80.758 flat angles P-C4'-P energy: -53.162 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: 6, replica: 9 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1042.381022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.381022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.381022 (E_RNA) where: Base-Base interactions energy: -714.955 where: short stacking energy: -314.454 Base-Backbone interact. energy: 0.339 local terms energy: -327.764630 where: bonds (distance) C4'-P energy: -70.533 bonds (distance) P-C4' energy: -57.754 flat angles C4'-P-C4' energy: -70.393 flat angles P-C4'-P energy: -49.668 tors. eta vs tors. theta energy: -79.416 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: 6 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -859.553856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.553856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.553856 (E_RNA) where: Base-Base interactions energy: -532.010 where: short stacking energy: -254.775 Base-Backbone interact. energy: -1.242 local terms energy: -326.301321 where: bonds (distance) C4'-P energy: -60.482 bonds (distance) P-C4' energy: -71.785 flat angles C4'-P-C4' energy: -84.566 flat angles P-C4'-P energy: -55.664 tors. eta vs tors. theta energy: -53.805 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: 10 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -673.826738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.826738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.826738 (E_RNA) where: Base-Base interactions energy: -409.137 where: short stacking energy: -192.216 Base-Backbone interact. energy: 0.884 local terms energy: -265.573211 where: bonds (distance) C4'-P energy: -58.297 bonds (distance) P-C4' energy: -67.609 flat angles C4'-P-C4' energy: -85.142 flat angles P-C4'-P energy: -26.669 tors. eta vs tors. theta energy: -27.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -557.481237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.481237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.481237 (E_RNA) where: Base-Base interactions energy: -315.315 where: short stacking energy: -155.238 Base-Backbone interact. energy: -1.663 local terms energy: -240.503423 where: bonds (distance) C4'-P energy: -51.157 bonds (distance) P-C4' energy: -71.226 flat angles C4'-P-C4' energy: -68.331 flat angles P-C4'-P energy: -45.392 tors. eta vs tors. theta energy: -4.398 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: 5 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -332.476349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.476349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.476349 (E_RNA) where: Base-Base interactions energy: -108.594 where: short stacking energy: -97.585 Base-Backbone interact. energy: -1.153 local terms energy: -222.729344 where: bonds (distance) C4'-P energy: -77.243 bonds (distance) P-C4' energy: -75.094 flat angles C4'-P-C4' energy: -58.659 flat angles P-C4'-P energy: -31.758 tors. eta vs tors. theta energy: 20.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1385.062511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.062511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.062511 (E_RNA) where: Base-Base interactions energy: -934.165 where: short stacking energy: -420.174 Base-Backbone interact. energy: -0.991 local terms energy: -449.906002 where: bonds (distance) C4'-P energy: -88.111 bonds (distance) P-C4' energy: -79.870 flat angles C4'-P-C4' energy: -85.408 flat angles P-C4'-P energy: -62.930 tors. eta vs tors. theta energy: -133.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1344.726634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.726634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.726634 (E_RNA) where: Base-Base interactions energy: -944.741 where: short stacking energy: -399.292 Base-Backbone interact. energy: -1.852 local terms energy: -398.133729 where: bonds (distance) C4'-P energy: -73.547 bonds (distance) P-C4' energy: -69.669 flat angles C4'-P-C4' energy: -82.622 flat angles P-C4'-P energy: -56.975 tors. eta vs tors. theta energy: -115.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1268.584054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.584054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.584054 (E_RNA) where: Base-Base interactions energy: -851.145 where: short stacking energy: -378.581 Base-Backbone interact. energy: -0.994 local terms energy: -416.444916 where: bonds (distance) C4'-P energy: -76.162 bonds (distance) P-C4' energy: -74.496 flat angles C4'-P-C4' energy: -90.002 flat angles P-C4'-P energy: -61.494 tors. eta vs tors. theta energy: -114.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1207.386644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.386644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.386644 (E_RNA) where: Base-Base interactions energy: -824.705 where: short stacking energy: -366.263 Base-Backbone interact. energy: -1.726 local terms energy: -380.955444 where: bonds (distance) C4'-P energy: -70.877 bonds (distance) P-C4' energy: -63.938 flat angles C4'-P-C4' energy: -79.223 flat angles P-C4'-P energy: -56.055 tors. eta vs tors. theta energy: -110.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1152.267328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.267328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.267328 (E_RNA) where: Base-Base interactions energy: -793.895 where: short stacking energy: -328.782 Base-Backbone interact. energy: -2.662 local terms energy: -355.710153 where: bonds (distance) C4'-P energy: -68.511 bonds (distance) P-C4' energy: -65.593 flat angles C4'-P-C4' energy: -68.480 flat angles P-C4'-P energy: -55.745 tors. eta vs tors. theta energy: -97.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1032.399834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.399834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.399834 (E_RNA) where: Base-Base interactions energy: -682.770 where: short stacking energy: -300.386 Base-Backbone interact. energy: -1.343 local terms energy: -348.286922 where: bonds (distance) C4'-P energy: -72.316 bonds (distance) P-C4' energy: -70.680 flat angles C4'-P-C4' energy: -75.874 flat angles P-C4'-P energy: -43.032 tors. eta vs tors. theta energy: -86.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -868.498135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.498135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.498135 (E_RNA) where: Base-Base interactions energy: -542.353 where: short stacking energy: -249.359 Base-Backbone interact. energy: 2.122 local terms energy: -328.267124 where: bonds (distance) C4'-P energy: -62.981 bonds (distance) P-C4' energy: -67.972 flat angles C4'-P-C4' energy: -75.706 flat angles P-C4'-P energy: -53.922 tors. eta vs tors. theta energy: -67.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -521.320090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.320090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.320090 (E_RNA) where: Base-Base interactions energy: -295.069 where: short stacking energy: -169.547 Base-Backbone interact. energy: -0.391 local terms energy: -225.860612 where: bonds (distance) C4'-P energy: -50.682 bonds (distance) P-C4' energy: -68.014 flat angles C4'-P-C4' energy: -56.279 flat angles P-C4'-P energy: -32.309 tors. eta vs tors. theta energy: -18.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -661.790241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.790241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.790241 (E_RNA) where: Base-Base interactions energy: -403.752 where: short stacking energy: -184.354 Base-Backbone interact. energy: -3.069 local terms energy: -254.969860 where: bonds (distance) C4'-P energy: -49.671 bonds (distance) P-C4' energy: -69.051 flat angles C4'-P-C4' energy: -70.580 flat angles P-C4'-P energy: -39.646 tors. eta vs tors. theta energy: -26.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -314.853553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.853553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.853553 (E_RNA) where: Base-Base interactions energy: -127.811 where: short stacking energy: -122.354 Base-Backbone interact. energy: 0.283 local terms energy: -187.325462 where: bonds (distance) C4'-P energy: -42.029 bonds (distance) P-C4' energy: -69.280 flat angles C4'-P-C4' energy: -50.211 flat angles P-C4'-P energy: -26.971 tors. eta vs tors. theta energy: 1.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1374.609992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.609992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.609992 (E_RNA) where: Base-Base interactions energy: -944.228 where: short stacking energy: -423.678 Base-Backbone interact. energy: -2.531 local terms energy: -427.850610 where: bonds (distance) C4'-P energy: -75.565 bonds (distance) P-C4' energy: -86.113 flat angles C4'-P-C4' energy: -86.130 flat angles P-C4'-P energy: -58.507 tors. eta vs tors. theta energy: -121.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1336.040921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.040921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.040921 (E_RNA) where: Base-Base interactions energy: -926.958 where: short stacking energy: -405.584 Base-Backbone interact. energy: 0.533 local terms energy: -409.615546 where: bonds (distance) C4'-P energy: -70.242 bonds (distance) P-C4' energy: -79.805 flat angles C4'-P-C4' energy: -88.944 flat angles P-C4'-P energy: -58.123 tors. eta vs tors. theta energy: -112.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1242.984271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.984271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.984271 (E_RNA) where: Base-Base interactions energy: -854.254 where: short stacking energy: -384.752 Base-Backbone interact. energy: -2.688 local terms energy: -386.041927 where: bonds (distance) C4'-P energy: -75.584 bonds (distance) P-C4' energy: -71.379 flat angles C4'-P-C4' energy: -75.194 flat angles P-C4'-P energy: -42.369 tors. eta vs tors. theta energy: -121.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1232.717626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.717626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.717626 (E_RNA) where: Base-Base interactions energy: -821.143 where: short stacking energy: -360.156 Base-Backbone interact. energy: -0.242 local terms energy: -411.333009 where: bonds (distance) C4'-P energy: -70.413 bonds (distance) P-C4' energy: -69.627 flat angles C4'-P-C4' energy: -92.445 flat angles P-C4'-P energy: -65.845 tors. eta vs tors. theta energy: -113.004 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: 8 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1129.625773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.625773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.625773 (E_RNA) where: Base-Base interactions energy: -786.897 where: short stacking energy: -344.612 Base-Backbone interact. energy: 0.905 local terms energy: -343.633735 where: bonds (distance) C4'-P energy: -48.913 bonds (distance) P-C4' energy: -81.239 flat angles C4'-P-C4' energy: -76.010 flat angles P-C4'-P energy: -37.608 tors. eta vs tors. theta energy: -99.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1049.777881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.777881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.777881 (E_RNA) where: Base-Base interactions energy: -688.129 where: short stacking energy: -320.361 Base-Backbone interact. energy: -1.142 local terms energy: -360.506329 where: bonds (distance) C4'-P energy: -67.157 bonds (distance) P-C4' energy: -76.234 flat angles C4'-P-C4' energy: -84.028 flat angles P-C4'-P energy: -41.914 tors. eta vs tors. theta energy: -91.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -904.846333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.846333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.846333 (E_RNA) where: Base-Base interactions energy: -593.257 where: short stacking energy: -270.225 Base-Backbone interact. energy: -1.671 local terms energy: -309.918845 where: bonds (distance) C4'-P energy: -80.302 bonds (distance) P-C4' energy: -63.810 flat angles C4'-P-C4' energy: -70.157 flat angles P-C4'-P energy: -33.636 tors. eta vs tors. theta energy: -62.013 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: 1 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -600.253924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.253924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.253924 (E_RNA) where: Base-Base interactions energy: -340.649 where: short stacking energy: -202.772 Base-Backbone interact. energy: 1.480 local terms energy: -261.084849 where: bonds (distance) C4'-P energy: -53.636 bonds (distance) P-C4' energy: -67.795 flat angles C4'-P-C4' energy: -55.378 flat angles P-C4'-P energy: -47.861 tors. eta vs tors. theta energy: -36.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -654.349271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.349271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.349271 (E_RNA) where: Base-Base interactions energy: -394.102 where: short stacking energy: -187.563 Base-Backbone interact. energy: 2.700 local terms energy: -262.947904 where: bonds (distance) C4'-P energy: -67.499 bonds (distance) P-C4' energy: -69.462 flat angles C4'-P-C4' energy: -53.380 flat angles P-C4'-P energy: -39.667 tors. eta vs tors. theta energy: -32.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -319.465135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.465135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.465135 (E_RNA) where: Base-Base interactions energy: -108.360 where: short stacking energy: -77.055 Base-Backbone interact. energy: 2.128 local terms energy: -213.233283 where: bonds (distance) C4'-P energy: -50.374 bonds (distance) P-C4' energy: -83.113 flat angles C4'-P-C4' energy: -50.468 flat angles P-C4'-P energy: -42.412 tors. eta vs tors. theta energy: 13.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1368.416331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.416331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.416331 (E_RNA) where: Base-Base interactions energy: -937.801 where: short stacking energy: -422.808 Base-Backbone interact. energy: -1.323 local terms energy: -429.292570 where: bonds (distance) C4'-P energy: -83.630 bonds (distance) P-C4' energy: -71.603 flat angles C4'-P-C4' energy: -83.569 flat angles P-C4'-P energy: -66.357 tors. eta vs tors. theta energy: -124.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1347.649732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.649732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.649732 (E_RNA) where: Base-Base interactions energy: -917.167 where: short stacking energy: -397.871 Base-Backbone interact. energy: -4.245 local terms energy: -426.237539 where: bonds (distance) C4'-P energy: -78.848 bonds (distance) P-C4' energy: -83.630 flat angles C4'-P-C4' energy: -86.489 flat angles P-C4'-P energy: -60.403 tors. eta vs tors. theta energy: -116.868 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: 7 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1235.678780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.678780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.678780 (E_RNA) where: Base-Base interactions energy: -833.034 where: short stacking energy: -369.351 Base-Backbone interact. energy: -1.024 local terms energy: -401.620797 where: bonds (distance) C4'-P energy: -74.086 bonds (distance) P-C4' energy: -77.733 flat angles C4'-P-C4' energy: -80.744 flat angles P-C4'-P energy: -58.387 tors. eta vs tors. theta energy: -110.671 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: 4 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1209.982167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.982167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.982167 (E_RNA) where: Base-Base interactions energy: -816.981 where: short stacking energy: -373.165 Base-Backbone interact. energy: -1.216 local terms energy: -391.785167 where: bonds (distance) C4'-P energy: -68.111 bonds (distance) P-C4' energy: -71.702 flat angles C4'-P-C4' energy: -92.084 flat angles P-C4'-P energy: -54.392 tors. eta vs tors. theta energy: -105.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1129.569466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.569466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.569466 (E_RNA) where: Base-Base interactions energy: -765.639 where: short stacking energy: -330.403 Base-Backbone interact. energy: 0.955 local terms energy: -364.884842 where: bonds (distance) C4'-P energy: -62.210 bonds (distance) P-C4' energy: -78.505 flat angles C4'-P-C4' energy: -81.587 flat angles P-C4'-P energy: -54.401 tors. eta vs tors. theta energy: -88.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1068.851525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.851525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.851525 (E_RNA) where: Base-Base interactions energy: -713.538 where: short stacking energy: -323.439 Base-Backbone interact. energy: 0.894 local terms energy: -356.207394 where: bonds (distance) C4'-P energy: -70.760 bonds (distance) P-C4' energy: -70.698 flat angles C4'-P-C4' energy: -73.540 flat angles P-C4'-P energy: -48.703 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: 7, replica: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -849.676363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.676363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.676363 (E_RNA) where: Base-Base interactions energy: -566.390 where: short stacking energy: -276.977 Base-Backbone interact. energy: -2.838 local terms energy: -280.448242 where: bonds (distance) C4'-P energy: -59.493 bonds (distance) P-C4' energy: -60.083 flat angles C4'-P-C4' energy: -70.777 flat angles P-C4'-P energy: -36.488 tors. eta vs tors. theta energy: -53.608 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: 10 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -700.955360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.955360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.955360 (E_RNA) where: Base-Base interactions energy: -434.062 where: short stacking energy: -197.434 Base-Backbone interact. energy: -2.550 local terms energy: -264.343426 where: bonds (distance) C4'-P energy: -56.183 bonds (distance) P-C4' energy: -78.005 flat angles C4'-P-C4' energy: -52.627 flat angles P-C4'-P energy: -52.312 tors. eta vs tors. theta energy: -25.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -582.983741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.983741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.983741 (E_RNA) where: Base-Base interactions energy: -331.924 where: short stacking energy: -177.579 Base-Backbone interact. energy: -1.154 local terms energy: -249.906208 where: bonds (distance) C4'-P energy: -66.986 bonds (distance) P-C4' energy: -66.288 flat angles C4'-P-C4' energy: -58.480 flat angles P-C4'-P energy: -42.831 tors. eta vs tors. theta energy: -15.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -318.961689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.961689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.961689 (E_RNA) where: Base-Base interactions energy: -109.731 where: short stacking energy: -101.207 Base-Backbone interact. energy: 0.881 local terms energy: -210.112002 where: bonds (distance) C4'-P energy: -65.182 bonds (distance) P-C4' energy: -58.615 flat angles C4'-P-C4' energy: -52.535 flat angles P-C4'-P energy: -50.146 tors. eta vs tors. theta energy: 16.365 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: 2 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1350.223674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.223674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.223674 (E_RNA) where: Base-Base interactions energy: -950.862 where: short stacking energy: -427.102 Base-Backbone interact. energy: -1.990 local terms energy: -397.371693 where: bonds (distance) C4'-P energy: -69.326 bonds (distance) P-C4' energy: -65.722 flat angles C4'-P-C4' energy: -85.200 flat angles P-C4'-P energy: -53.373 tors. eta vs tors. theta energy: -123.750 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: 2, replica: 3 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1327.881425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.881425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.881425 (E_RNA) where: Base-Base interactions energy: -908.491 where: short stacking energy: -392.634 Base-Backbone interact. energy: -1.531 local terms energy: -417.859610 where: bonds (distance) C4'-P energy: -69.809 bonds (distance) P-C4' energy: -67.024 flat angles C4'-P-C4' energy: -93.793 flat angles P-C4'-P energy: -70.220 tors. eta vs tors. theta energy: -117.014 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: 4 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1228.119523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.119523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.119523 (E_RNA) where: Base-Base interactions energy: -854.376 where: short stacking energy: -361.120 Base-Backbone interact. energy: -2.531 local terms energy: -371.213022 where: bonds (distance) C4'-P energy: -70.309 bonds (distance) P-C4' energy: -65.589 flat angles C4'-P-C4' energy: -84.444 flat angles P-C4'-P energy: -51.787 tors. eta vs tors. theta energy: -99.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1189.644131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.644131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.644131 (E_RNA) where: Base-Base interactions energy: -784.457 where: short stacking energy: -359.615 Base-Backbone interact. energy: -0.503 local terms energy: -404.684204 where: bonds (distance) C4'-P energy: -71.567 bonds (distance) P-C4' energy: -82.712 flat angles C4'-P-C4' energy: -82.264 flat angles P-C4'-P energy: -52.844 tors. eta vs tors. theta energy: -115.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1169.216283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.216283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.216283 (E_RNA) where: Base-Base interactions energy: -800.543 where: short stacking energy: -328.762 Base-Backbone interact. energy: -0.313 local terms energy: -368.359446 where: bonds (distance) C4'-P energy: -67.002 bonds (distance) P-C4' energy: -77.973 flat angles C4'-P-C4' energy: -76.000 flat angles P-C4'-P energy: -50.390 tors. eta vs tors. theta energy: -96.995 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: 9 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1017.583611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.583611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.583611 (E_RNA) where: Base-Base interactions energy: -686.849 where: short stacking energy: -314.746 Base-Backbone interact. energy: -0.735 local terms energy: -329.999621 where: bonds (distance) C4'-P energy: -51.124 bonds (distance) P-C4' energy: -77.846 flat angles C4'-P-C4' energy: -74.582 flat angles P-C4'-P energy: -46.302 tors. eta vs tors. theta energy: -80.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -928.304788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.304788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.304788 (E_RNA) where: Base-Base interactions energy: -589.285 where: short stacking energy: -251.545 Base-Backbone interact. energy: -0.216 local terms energy: -338.803424 where: bonds (distance) C4'-P energy: -80.648 bonds (distance) P-C4' energy: -73.869 flat angles C4'-P-C4' energy: -69.931 flat angles P-C4'-P energy: -49.210 tors. eta vs tors. theta energy: -65.145 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: 10 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -703.319870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.319870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.319870 (E_RNA) where: Base-Base interactions energy: -419.121 where: short stacking energy: -205.786 Base-Backbone interact. energy: -1.583 local terms energy: -282.615827 where: bonds (distance) C4'-P energy: -67.366 bonds (distance) P-C4' energy: -74.290 flat angles C4'-P-C4' energy: -63.498 flat angles P-C4'-P energy: -42.296 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: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -597.053538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.053538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.053538 (E_RNA) where: Base-Base interactions energy: -330.404 where: short stacking energy: -170.434 Base-Backbone interact. energy: -1.632 local terms energy: -265.018213 where: bonds (distance) C4'-P energy: -74.052 bonds (distance) P-C4' energy: -70.583 flat angles C4'-P-C4' energy: -62.401 flat angles P-C4'-P energy: -34.261 tors. eta vs tors. theta energy: -23.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -308.132411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.132411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.132411 (E_RNA) where: Base-Base interactions energy: -121.384 where: short stacking energy: -110.470 Base-Backbone interact. energy: 0.493 local terms energy: -187.241423 where: bonds (distance) C4'-P energy: -43.097 bonds (distance) P-C4' energy: -71.415 flat angles C4'-P-C4' energy: -62.423 flat angles P-C4'-P energy: -18.561 tors. eta vs tors. theta energy: 8.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1369.951390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.951390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.951390 (E_RNA) where: Base-Base interactions energy: -946.987 where: short stacking energy: -419.462 Base-Backbone interact. energy: -3.222 local terms energy: -419.742589 where: bonds (distance) C4'-P energy: -80.792 bonds (distance) P-C4' energy: -68.426 flat angles C4'-P-C4' energy: -88.391 flat angles P-C4'-P energy: -57.732 tors. eta vs tors. theta energy: -124.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1344.297417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.297417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.297417 (E_RNA) where: Base-Base interactions energy: -928.017 where: short stacking energy: -406.346 Base-Backbone interact. energy: -1.484 local terms energy: -414.797015 where: bonds (distance) C4'-P energy: -79.128 bonds (distance) P-C4' energy: -76.963 flat angles C4'-P-C4' energy: -88.671 flat angles P-C4'-P energy: -60.992 tors. eta vs tors. theta energy: -109.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1262.077444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.077444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.077444 (E_RNA) where: Base-Base interactions energy: -865.849 where: short stacking energy: -376.828 Base-Backbone interact. energy: -0.492 local terms energy: -395.736628 where: bonds (distance) C4'-P energy: -66.327 bonds (distance) P-C4' energy: -79.292 flat angles C4'-P-C4' energy: -81.816 flat angles P-C4'-P energy: -62.661 tors. eta vs tors. theta energy: -105.640 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: 8 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1225.532786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.532786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.532786 (E_RNA) where: Base-Base interactions energy: -875.020 where: short stacking energy: -367.416 Base-Backbone interact. energy: 1.341 local terms energy: -351.853357 where: bonds (distance) C4'-P energy: -73.405 bonds (distance) P-C4' energy: -60.429 flat angles C4'-P-C4' energy: -69.423 flat angles P-C4'-P energy: -48.496 tors. eta vs tors. theta energy: -100.100 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: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1143.687922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.687922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.687922 (E_RNA) where: Base-Base interactions energy: -741.569 where: short stacking energy: -354.154 Base-Backbone interact. energy: -2.558 local terms energy: -399.561572 where: bonds (distance) C4'-P energy: -70.141 bonds (distance) P-C4' energy: -82.794 flat angles C4'-P-C4' energy: -86.117 flat angles P-C4'-P energy: -54.382 tors. eta vs tors. theta energy: -106.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1039.332747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.332747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.332747 (E_RNA) where: Base-Base interactions energy: -698.273 where: short stacking energy: -307.057 Base-Backbone interact. energy: -0.914 local terms energy: -340.145455 where: bonds (distance) C4'-P energy: -60.024 bonds (distance) P-C4' energy: -75.008 flat angles C4'-P-C4' energy: -70.009 flat angles P-C4'-P energy: -45.623 tors. eta vs tors. theta energy: -89.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -914.209320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.209320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.209320 (E_RNA) where: Base-Base interactions energy: -596.826 where: short stacking energy: -260.836 Base-Backbone interact. energy: -1.248 local terms energy: -316.135681 where: bonds (distance) C4'-P energy: -68.843 bonds (distance) P-C4' energy: -67.132 flat angles C4'-P-C4' energy: -65.653 flat angles P-C4'-P energy: -45.781 tors. eta vs tors. theta energy: -68.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -695.212338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.212338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.212338 (E_RNA) where: Base-Base interactions energy: -420.919 where: short stacking energy: -211.083 Base-Backbone interact. energy: -2.005 local terms energy: -272.288488 where: bonds (distance) C4'-P energy: -57.986 bonds (distance) P-C4' energy: -76.457 flat angles C4'-P-C4' energy: -62.033 flat angles P-C4'-P energy: -42.195 tors. eta vs tors. theta energy: -33.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -509.557534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.557534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.557534 (E_RNA) where: Base-Base interactions energy: -273.114 where: short stacking energy: -167.556 Base-Backbone interact. energy: 0.912 local terms energy: -237.355533 where: bonds (distance) C4'-P energy: -49.292 bonds (distance) P-C4' energy: -55.826 flat angles C4'-P-C4' energy: -68.778 flat angles P-C4'-P energy: -38.980 tors. eta vs tors. theta energy: -24.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -310.013025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.013025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.013025 (E_RNA) where: Base-Base interactions energy: -109.242 where: short stacking energy: -87.561 Base-Backbone interact. energy: -1.385 local terms energy: -199.385911 where: bonds (distance) C4'-P energy: -58.832 bonds (distance) P-C4' energy: -80.502 flat angles C4'-P-C4' energy: -60.947 flat angles P-C4'-P energy: -19.714 tors. eta vs tors. theta energy: 20.609 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: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1358.507660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.507660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.507660 (E_RNA) where: Base-Base interactions energy: -913.732 where: short stacking energy: -404.577 Base-Backbone interact. energy: -2.746 local terms energy: -442.029021 where: bonds (distance) C4'-P energy: -87.629 bonds (distance) P-C4' energy: -83.240 flat angles C4'-P-C4' energy: -89.006 flat angles P-C4'-P energy: -58.991 tors. eta vs tors. theta energy: -123.163 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: 160 Temperature: 0.950000 Total energy: -1330.305289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.305289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.305289 (E_RNA) where: Base-Base interactions energy: -904.750 where: short stacking energy: -388.107 Base-Backbone interact. energy: -2.311 local terms energy: -423.244555 where: bonds (distance) C4'-P energy: -77.559 bonds (distance) P-C4' energy: -84.879 flat angles C4'-P-C4' energy: -85.960 flat angles P-C4'-P energy: -60.763 tors. eta vs tors. theta energy: -114.083 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: 3, replica: 4 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1230.665371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.665371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.665371 (E_RNA) where: Base-Base interactions energy: -819.395 where: short stacking energy: -372.962 Base-Backbone interact. energy: -2.004 local terms energy: -409.266667 where: bonds (distance) C4'-P energy: -76.416 bonds (distance) P-C4' energy: -72.959 flat angles C4'-P-C4' energy: -92.699 flat angles P-C4'-P energy: -59.152 tors. eta vs tors. theta energy: -108.041 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: 4, replica: 8 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1221.507239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.507239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.507239 (E_RNA) where: Base-Base interactions energy: -849.034 where: short stacking energy: -352.766 Base-Backbone interact. energy: -0.557 local terms energy: -371.915682 where: bonds (distance) C4'-P energy: -72.526 bonds (distance) P-C4' energy: -69.811 flat angles C4'-P-C4' energy: -74.013 flat angles P-C4'-P energy: -55.758 tors. eta vs tors. theta energy: -99.808 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: 5, replica: 9 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1090.310123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.310123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.310123 (E_RNA) where: Base-Base interactions energy: -736.271 where: short stacking energy: -312.756 Base-Backbone interact. energy: -1.053 local terms energy: -352.986177 where: bonds (distance) C4'-P energy: -76.333 bonds (distance) P-C4' energy: -65.699 flat angles C4'-P-C4' energy: -75.652 flat angles P-C4'-P energy: -53.094 tors. eta vs tors. theta energy: -82.208 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: 6, replica: 7 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1108.708779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.708779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.708779 (E_RNA) where: Base-Base interactions energy: -736.409 where: short stacking energy: -318.320 Base-Backbone interact. energy: -0.348 local terms energy: -371.951051 where: bonds (distance) C4'-P energy: -70.386 bonds (distance) P-C4' energy: -60.973 flat angles C4'-P-C4' energy: -85.667 flat angles P-C4'-P energy: -60.206 tors. eta vs tors. theta energy: -94.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -946.553195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.553195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.553195 (E_RNA) where: Base-Base interactions energy: -627.193 where: short stacking energy: -294.787 Base-Backbone interact. energy: -2.041 local terms energy: -317.318844 where: bonds (distance) C4'-P energy: -56.067 bonds (distance) P-C4' energy: -69.524 flat angles C4'-P-C4' energy: -71.998 flat angles P-C4'-P energy: -50.811 tors. eta vs tors. theta energy: -68.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -711.905929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.905929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.905929 (E_RNA) where: Base-Base interactions energy: -456.687 where: short stacking energy: -221.110 Base-Backbone interact. energy: -0.250 local terms energy: -254.969335 where: bonds (distance) C4'-P energy: -59.995 bonds (distance) P-C4' energy: -59.539 flat angles C4'-P-C4' energy: -64.363 flat angles P-C4'-P energy: -27.137 tors. eta vs tors. theta energy: -43.936 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: 1 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -472.585285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.585285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.585285 (E_RNA) where: Base-Base interactions energy: -237.781 where: short stacking energy: -129.756 Base-Backbone interact. energy: -2.271 local terms energy: -232.532867 where: bonds (distance) C4'-P energy: -64.809 bonds (distance) P-C4' energy: -61.110 flat angles C4'-P-C4' energy: -62.674 flat angles P-C4'-P energy: -32.738 tors. eta vs tors. theta energy: -11.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -316.567341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.567341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.567341 (E_RNA) where: Base-Base interactions energy: -107.352 where: short stacking energy: -95.091 Base-Backbone interact. energy: -0.362 local terms energy: -208.852729 where: bonds (distance) C4'-P energy: -55.024 bonds (distance) P-C4' energy: -63.670 flat angles C4'-P-C4' energy: -63.137 flat angles P-C4'-P energy: -37.345 tors. eta vs tors. theta energy: 10.324 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: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1363.064428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.064428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.064428 (E_RNA) where: Base-Base interactions energy: -925.557 where: short stacking energy: -424.292 Base-Backbone interact. energy: -2.055 local terms energy: -435.451773 where: bonds (distance) C4'-P energy: -67.169 bonds (distance) P-C4' energy: -80.484 flat angles C4'-P-C4' energy: -96.019 flat angles P-C4'-P energy: -58.565 tors. eta vs tors. theta energy: -133.215 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: 3 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1327.031107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.031107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.031107 (E_RNA) where: Base-Base interactions energy: -910.293 where: short stacking energy: -389.433 Base-Backbone interact. energy: -1.379 local terms energy: -415.359538 where: bonds (distance) C4'-P energy: -66.933 bonds (distance) P-C4' energy: -78.840 flat angles C4'-P-C4' energy: -93.469 flat angles P-C4'-P energy: -63.538 tors. eta vs tors. theta energy: -112.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1257.470670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.470670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.470670 (E_RNA) where: Base-Base interactions energy: -844.867 where: short stacking energy: -375.452 Base-Backbone interact. energy: -0.699 local terms energy: -411.904651 where: bonds (distance) C4'-P energy: -69.269 bonds (distance) P-C4' energy: -80.418 flat angles C4'-P-C4' energy: -94.486 flat angles P-C4'-P energy: -57.979 tors. eta vs tors. theta energy: -109.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1246.133839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.133839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.133839 (E_RNA) where: Base-Base interactions energy: -858.642 where: short stacking energy: -335.560 Base-Backbone interact. energy: 1.447 local terms energy: -388.938821 where: bonds (distance) C4'-P energy: -67.920 bonds (distance) P-C4' energy: -81.684 flat angles C4'-P-C4' energy: -80.103 flat angles P-C4'-P energy: -62.953 tors. eta vs tors. theta energy: -96.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1096.601603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.601603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.601603 (E_RNA) where: Base-Base interactions energy: -697.536 where: short stacking energy: -315.347 Base-Backbone interact. energy: -0.965 local terms energy: -398.100895 where: bonds (distance) C4'-P energy: -82.322 bonds (distance) P-C4' energy: -82.637 flat angles C4'-P-C4' energy: -81.235 flat angles P-C4'-P energy: -58.637 tors. eta vs tors. theta energy: -93.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1137.542804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.542804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.542804 (E_RNA) where: Base-Base interactions energy: -766.834 where: short stacking energy: -342.118 Base-Backbone interact. energy: -0.757 local terms energy: -369.951919 where: bonds (distance) C4'-P energy: -69.824 bonds (distance) P-C4' energy: -60.236 flat angles C4'-P-C4' energy: -77.502 flat angles P-C4'-P energy: -48.264 tors. eta vs tors. theta energy: -114.126 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: 6 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -942.331319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.331319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.331319 (E_RNA) where: Base-Base interactions energy: -606.923 where: short stacking energy: -271.863 Base-Backbone interact. energy: -1.216 local terms energy: -334.191867 where: bonds (distance) C4'-P energy: -63.980 bonds (distance) P-C4' energy: -79.393 flat angles C4'-P-C4' energy: -75.579 flat angles P-C4'-P energy: -46.441 tors. eta vs tors. theta energy: -68.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -720.706334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.706334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.706334 (E_RNA) where: Base-Base interactions energy: -454.514 where: short stacking energy: -230.006 Base-Backbone interact. energy: -0.624 local terms energy: -265.568363 where: bonds (distance) C4'-P energy: -75.774 bonds (distance) P-C4' energy: -61.799 flat angles C4'-P-C4' energy: -59.936 flat angles P-C4'-P energy: -27.378 tors. eta vs tors. theta energy: -40.681 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: 161 Temperature: 1.300000 Total energy: -470.373809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.373809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.373809 (E_RNA) where: Base-Base interactions energy: -244.542 where: short stacking energy: -123.836 Base-Backbone interact. energy: 1.526 local terms energy: -227.357752 where: bonds (distance) C4'-P energy: -53.920 bonds (distance) P-C4' energy: -71.083 flat angles C4'-P-C4' energy: -62.757 flat angles P-C4'-P energy: -46.659 tors. eta vs tors. theta energy: 7.061 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: 10, replica: 5 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -324.655743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.655743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.655743 (E_RNA) where: Base-Base interactions energy: -130.719 where: short stacking energy: -96.169 Base-Backbone interact. energy: 1.495 local terms energy: -195.431206 where: bonds (distance) C4'-P energy: -64.857 bonds (distance) P-C4' energy: -63.857 flat angles C4'-P-C4' energy: -45.945 flat angles P-C4'-P energy: -35.975 tors. eta vs tors. theta energy: 15.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1362.602868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.602868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.602868 (E_RNA) where: Base-Base interactions energy: -934.536 where: short stacking energy: -431.572 Base-Backbone interact. energy: -2.168 local terms energy: -425.898845 where: bonds (distance) C4'-P energy: -67.418 bonds (distance) P-C4' energy: -80.456 flat angles C4'-P-C4' energy: -86.973 flat angles P-C4'-P energy: -67.826 tors. eta vs tors. theta energy: -123.226 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: 162 Temperature: 0.950000 Total energy: -1324.256737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.256737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.256737 (E_RNA) where: Base-Base interactions energy: -912.148 where: short stacking energy: -400.368 Base-Backbone interact. energy: -2.805 local terms energy: -409.304395 where: bonds (distance) C4'-P energy: -66.836 bonds (distance) P-C4' energy: -84.289 flat angles C4'-P-C4' energy: -85.569 flat angles P-C4'-P energy: -53.159 tors. eta vs tors. theta energy: -119.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1234.447163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.447163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.447163 (E_RNA) where: Base-Base interactions energy: -857.266 where: short stacking energy: -377.704 Base-Backbone interact. energy: 1.076 local terms energy: -378.257006 where: bonds (distance) C4'-P energy: -66.210 bonds (distance) P-C4' energy: -69.809 flat angles C4'-P-C4' energy: -85.278 flat angles P-C4'-P energy: -46.606 tors. eta vs tors. theta energy: -110.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1225.432786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.432786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.432786 (E_RNA) where: Base-Base interactions energy: -862.632 where: short stacking energy: -356.359 Base-Backbone interact. energy: -2.472 local terms energy: -360.328875 where: bonds (distance) C4'-P energy: -68.371 bonds (distance) P-C4' energy: -59.236 flat angles C4'-P-C4' energy: -90.399 flat angles P-C4'-P energy: -42.221 tors. eta vs tors. theta energy: -100.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1170.855367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.855367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.855367 (E_RNA) where: Base-Base interactions energy: -795.221 where: short stacking energy: -348.095 Base-Backbone interact. energy: -0.883 local terms energy: -374.751290 where: bonds (distance) C4'-P energy: -72.059 bonds (distance) P-C4' energy: -63.547 flat angles C4'-P-C4' energy: -73.690 flat angles P-C4'-P energy: -56.931 tors. eta vs tors. theta energy: -108.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1046.950985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.950985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.950985 (E_RNA) where: Base-Base interactions energy: -697.956 where: short stacking energy: -304.059 Base-Backbone interact. energy: -0.618 local terms energy: -348.377166 where: bonds (distance) C4'-P energy: -67.804 bonds (distance) P-C4' energy: -73.708 flat angles C4'-P-C4' energy: -74.612 flat angles P-C4'-P energy: -52.141 tors. eta vs tors. theta energy: -80.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -947.602171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.602171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.602171 (E_RNA) where: Base-Base interactions energy: -614.533 where: short stacking energy: -270.765 Base-Backbone interact. energy: 1.265 local terms energy: -334.334434 where: bonds (distance) C4'-P energy: -65.186 bonds (distance) P-C4' energy: -66.619 flat angles C4'-P-C4' energy: -80.611 flat angles P-C4'-P energy: -58.550 tors. eta vs tors. theta energy: -63.369 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: 162 Temperature: 1.250000 Total energy: -695.328715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.328715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.328715 (E_RNA) where: Base-Base interactions energy: -416.492 where: short stacking energy: -208.122 Base-Backbone interact. energy: 0.070 local terms energy: -278.906261 where: bonds (distance) C4'-P energy: -69.071 bonds (distance) P-C4' energy: -65.550 flat angles C4'-P-C4' energy: -64.715 flat angles P-C4'-P energy: -41.069 tors. eta vs tors. theta energy: -38.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -455.413562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.413562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.413562 (E_RNA) where: Base-Base interactions energy: -233.272 where: short stacking energy: -117.037 Base-Backbone interact. energy: -0.277 local terms energy: -221.864782 where: bonds (distance) C4'-P energy: -51.722 bonds (distance) P-C4' energy: -64.058 flat angles C4'-P-C4' energy: -62.593 flat angles P-C4'-P energy: -38.730 tors. eta vs tors. theta energy: -4.762 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: 5 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -373.857994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.857994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.857994 (E_RNA) where: Base-Base interactions energy: -156.300 where: short stacking energy: -109.198 Base-Backbone interact. energy: 4.408 local terms energy: -221.966286 where: bonds (distance) C4'-P energy: -61.180 bonds (distance) P-C4' energy: -68.381 flat angles C4'-P-C4' energy: -61.908 flat angles P-C4'-P energy: -31.259 tors. eta vs tors. theta energy: 0.761 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: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1373.026099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.026099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.026099 (E_RNA) where: Base-Base interactions energy: -941.030 where: short stacking energy: -423.415 Base-Backbone interact. energy: 1.417 local terms energy: -433.413338 where: bonds (distance) C4'-P energy: -68.284 bonds (distance) P-C4' energy: -84.272 flat angles C4'-P-C4' energy: -90.025 flat angles P-C4'-P energy: -68.061 tors. eta vs tors. theta energy: -122.771 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: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1327.477920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.477920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.477920 (E_RNA) where: Base-Base interactions energy: -909.920 where: short stacking energy: -388.688 Base-Backbone interact. energy: 2.531 local terms energy: -420.088874 where: bonds (distance) C4'-P energy: -79.166 bonds (distance) P-C4' energy: -72.950 flat angles C4'-P-C4' energy: -84.842 flat angles P-C4'-P energy: -64.762 tors. eta vs tors. theta energy: -118.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1255.539192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.539192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.539192 (E_RNA) where: Base-Base interactions energy: -852.467 where: short stacking energy: -363.678 Base-Backbone interact. energy: -3.174 local terms energy: -399.899055 where: bonds (distance) C4'-P energy: -78.219 bonds (distance) P-C4' energy: -73.802 flat angles C4'-P-C4' energy: -88.089 flat angles P-C4'-P energy: -48.948 tors. eta vs tors. theta energy: -110.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1226.272327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.272327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.272327 (E_RNA) where: Base-Base interactions energy: -837.828 where: short stacking energy: -342.118 Base-Backbone interact. energy: -1.732 local terms energy: -386.712163 where: bonds (distance) C4'-P energy: -77.012 bonds (distance) P-C4' energy: -69.100 flat angles C4'-P-C4' energy: -81.111 flat angles P-C4'-P energy: -55.973 tors. eta vs tors. theta energy: -103.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1147.551664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.551664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.551664 (E_RNA) where: Base-Base interactions energy: -775.329 where: short stacking energy: -342.999 Base-Backbone interact. energy: -1.608 local terms energy: -370.614218 where: bonds (distance) C4'-P energy: -54.876 bonds (distance) P-C4' energy: -86.745 flat angles C4'-P-C4' energy: -72.669 flat angles P-C4'-P energy: -56.167 tors. eta vs tors. theta energy: -100.157 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: 9 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1021.731272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.731272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.731272 (E_RNA) where: Base-Base interactions energy: -696.198 where: short stacking energy: -288.927 Base-Backbone interact. energy: 1.980 local terms energy: -327.513761 where: bonds (distance) C4'-P energy: -69.364 bonds (distance) P-C4' energy: -62.102 flat angles C4'-P-C4' energy: -66.467 flat angles P-C4'-P energy: -49.983 tors. eta vs tors. theta energy: -79.598 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: 7, replica: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -904.289964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.289964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.289964 (E_RNA) where: Base-Base interactions energy: -576.697 where: short stacking energy: -246.116 Base-Backbone interact. energy: -1.985 local terms energy: -325.607046 where: bonds (distance) C4'-P energy: -65.582 bonds (distance) P-C4' energy: -69.236 flat angles C4'-P-C4' energy: -79.405 flat angles P-C4'-P energy: -45.018 tors. eta vs tors. theta energy: -66.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -731.296127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.296127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.296127 (E_RNA) where: Base-Base interactions energy: -471.343 where: short stacking energy: -242.747 Base-Backbone interact. energy: -0.982 local terms energy: -258.971972 where: bonds (distance) C4'-P energy: -51.410 bonds (distance) P-C4' energy: -57.233 flat angles C4'-P-C4' energy: -72.372 flat angles P-C4'-P energy: -34.010 tors. eta vs tors. theta energy: -43.947 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: 1 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -394.808246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.808246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.808246 (E_RNA) where: Base-Base interactions energy: -163.803 where: short stacking energy: -108.587 Base-Backbone interact. energy: 2.283 local terms energy: -233.288394 where: bonds (distance) C4'-P energy: -72.955 bonds (distance) P-C4' energy: -64.907 flat angles C4'-P-C4' energy: -48.334 flat angles P-C4'-P energy: -45.347 tors. eta vs tors. theta energy: -1.745 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: 10, replica: 5 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -398.599921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.599921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.599921 (E_RNA) where: Base-Base interactions energy: -177.963 where: short stacking energy: -132.130 Base-Backbone interact. energy: 1.488 local terms energy: -222.125172 where: bonds (distance) C4'-P energy: -58.690 bonds (distance) P-C4' energy: -51.438 flat angles C4'-P-C4' energy: -65.471 flat angles P-C4'-P energy: -39.524 tors. eta vs tors. theta energy: -7.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1360.690161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.690161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.690161 (E_RNA) where: Base-Base interactions energy: -929.457 where: short stacking energy: -413.420 Base-Backbone interact. energy: 1.559 local terms energy: -432.791938 where: bonds (distance) C4'-P energy: -75.224 bonds (distance) P-C4' energy: -86.289 flat angles C4'-P-C4' energy: -89.090 flat angles P-C4'-P energy: -63.010 tors. eta vs tors. theta energy: -119.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1331.212093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.212093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.212093 (E_RNA) where: Base-Base interactions energy: -911.377 where: short stacking energy: -416.875 Base-Backbone interact. energy: -1.219 local terms energy: -418.615945 where: bonds (distance) C4'-P energy: -80.856 bonds (distance) P-C4' energy: -64.041 flat angles C4'-P-C4' energy: -90.199 flat angles P-C4'-P energy: -57.198 tors. eta vs tors. theta energy: -126.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1278.693777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.693777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.693777 (E_RNA) where: Base-Base interactions energy: -879.810 where: short stacking energy: -381.445 Base-Backbone interact. energy: -0.808 local terms energy: -398.075416 where: bonds (distance) C4'-P energy: -74.975 bonds (distance) P-C4' energy: -69.599 flat angles C4'-P-C4' energy: -91.031 flat angles P-C4'-P energy: -54.909 tors. eta vs tors. theta energy: -107.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1211.715318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.715318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.715318 (E_RNA) where: Base-Base interactions energy: -843.309 where: short stacking energy: -362.570 Base-Backbone interact. energy: -2.103 local terms energy: -366.303258 where: bonds (distance) C4'-P energy: -69.787 bonds (distance) P-C4' energy: -71.302 flat angles C4'-P-C4' energy: -82.787 flat angles P-C4'-P energy: -45.689 tors. eta vs tors. theta energy: -96.738 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: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1159.341428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.341428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.341428 (E_RNA) where: Base-Base interactions energy: -803.996 where: short stacking energy: -356.319 Base-Backbone interact. energy: -0.912 local terms energy: -354.432791 where: bonds (distance) C4'-P energy: -65.489 bonds (distance) P-C4' energy: -56.317 flat angles C4'-P-C4' energy: -77.188 flat angles P-C4'-P energy: -47.505 tors. eta vs tors. theta energy: -107.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1038.633248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.633248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.633248 (E_RNA) where: Base-Base interactions energy: -690.015 where: short stacking energy: -320.032 Base-Backbone interact. energy: -0.760 local terms energy: -347.858517 where: bonds (distance) C4'-P energy: -74.895 bonds (distance) P-C4' energy: -67.679 flat angles C4'-P-C4' energy: -77.835 flat angles P-C4'-P energy: -39.570 tors. eta vs tors. theta energy: -87.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -940.401223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.401223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.401223 (E_RNA) where: Base-Base interactions energy: -642.406 where: short stacking energy: -282.703 Base-Backbone interact. energy: -0.391 local terms energy: -297.603599 where: bonds (distance) C4'-P energy: -63.313 bonds (distance) P-C4' energy: -60.247 flat angles C4'-P-C4' energy: -60.646 flat angles P-C4'-P energy: -43.703 tors. eta vs tors. theta energy: -69.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -751.914466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.914466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.914466 (E_RNA) where: Base-Base interactions energy: -452.392 where: short stacking energy: -217.598 Base-Backbone interact. energy: -0.510 local terms energy: -299.012477 where: bonds (distance) C4'-P energy: -69.044 bonds (distance) P-C4' energy: -69.072 flat angles C4'-P-C4' energy: -68.897 flat angles P-C4'-P energy: -43.590 tors. eta vs tors. theta energy: -48.410 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: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -417.638680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.638680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.638680 (E_RNA) where: Base-Base interactions energy: -192.478 where: short stacking energy: -111.986 Base-Backbone interact. energy: -0.789 local terms energy: -224.371496 where: bonds (distance) C4'-P energy: -57.683 bonds (distance) P-C4' energy: -63.538 flat angles C4'-P-C4' energy: -83.396 flat angles P-C4'-P energy: -24.605 tors. eta vs tors. theta energy: 4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -327.156593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.156593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.156593 (E_RNA) where: Base-Base interactions energy: -96.436 where: short stacking energy: -91.653 Base-Backbone interact. energy: -1.093 local terms energy: -229.627513 where: bonds (distance) C4'-P energy: -65.134 bonds (distance) P-C4' energy: -76.682 flat angles C4'-P-C4' energy: -54.418 flat angles P-C4'-P energy: -42.838 tors. eta vs tors. theta energy: 9.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1377.320666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.320666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.320666 (E_RNA) where: Base-Base interactions energy: -958.211 where: short stacking energy: -418.205 Base-Backbone interact. energy: -1.746 local terms energy: -417.363818 where: bonds (distance) C4'-P energy: -76.907 bonds (distance) P-C4' energy: -78.623 flat angles C4'-P-C4' energy: -91.189 flat angles P-C4'-P energy: -55.106 tors. eta vs tors. theta energy: -115.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1323.209365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.209365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.209365 (E_RNA) where: Base-Base interactions energy: -900.180 where: short stacking energy: -405.315 Base-Backbone interact. energy: -1.199 local terms energy: -421.829900 where: bonds (distance) C4'-P energy: -76.421 bonds (distance) P-C4' energy: -74.154 flat angles C4'-P-C4' energy: -86.739 flat angles P-C4'-P energy: -60.399 tors. eta vs tors. theta energy: -124.118 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: 4 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1257.424108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.424108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.424108 (E_RNA) where: Base-Base interactions energy: -874.774 where: short stacking energy: -371.210 Base-Backbone interact. energy: -1.607 local terms energy: -381.042966 where: bonds (distance) C4'-P energy: -75.799 bonds (distance) P-C4' energy: -54.535 flat angles C4'-P-C4' energy: -88.720 flat angles P-C4'-P energy: -61.605 tors. eta vs tors. theta energy: -100.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1211.628860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.628860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.628860 (E_RNA) where: Base-Base interactions energy: -824.317 where: short stacking energy: -370.304 Base-Backbone interact. energy: -0.193 local terms energy: -387.119008 where: bonds (distance) C4'-P energy: -80.082 bonds (distance) P-C4' energy: -62.610 flat angles C4'-P-C4' energy: -77.850 flat angles P-C4'-P energy: -49.481 tors. eta vs tors. theta energy: -117.095 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: 5, replica: 8 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1165.884559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.884559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.884559 (E_RNA) where: Base-Base interactions energy: -815.703 where: short stacking energy: -330.168 Base-Backbone interact. energy: -1.557 local terms energy: -348.624496 where: bonds (distance) C4'-P energy: -69.220 bonds (distance) P-C4' energy: -67.397 flat angles C4'-P-C4' energy: -73.108 flat angles P-C4'-P energy: -49.795 tors. eta vs tors. theta energy: -89.106 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: 9 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1066.189013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.189013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.189013 (E_RNA) where: Base-Base interactions energy: -733.667 where: short stacking energy: -320.205 Base-Backbone interact. energy: -1.625 local terms energy: -330.896592 where: bonds (distance) C4'-P energy: -64.764 bonds (distance) P-C4' energy: -63.336 flat angles C4'-P-C4' energy: -78.812 flat angles P-C4'-P energy: -47.002 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: 7, replica: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -905.454271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.454271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.454271 (E_RNA) where: Base-Base interactions energy: -579.339 where: short stacking energy: -257.219 Base-Backbone interact. energy: -1.726 local terms energy: -324.389927 where: bonds (distance) C4'-P energy: -66.398 bonds (distance) P-C4' energy: -70.185 flat angles C4'-P-C4' energy: -76.822 flat angles P-C4'-P energy: -39.291 tors. eta vs tors. theta energy: -71.694 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: 10 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -700.380801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.380801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.380801 (E_RNA) where: Base-Base interactions energy: -413.480 where: short stacking energy: -184.326 Base-Backbone interact. energy: 1.561 local terms energy: -288.461500 where: bonds (distance) C4'-P energy: -71.895 bonds (distance) P-C4' energy: -61.822 flat angles C4'-P-C4' energy: -70.101 flat angles P-C4'-P energy: -49.346 tors. eta vs tors. theta energy: -35.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -401.696262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.696262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.696262 (E_RNA) where: Base-Base interactions energy: -171.692 where: short stacking energy: -116.087 Base-Backbone interact. energy: -0.872 local terms energy: -229.133013 where: bonds (distance) C4'-P energy: -78.124 bonds (distance) P-C4' energy: -50.993 flat angles C4'-P-C4' energy: -61.893 flat angles P-C4'-P energy: -35.877 tors. eta vs tors. theta energy: -2.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -316.052713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.052713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.052713 (E_RNA) where: Base-Base interactions energy: -110.006 where: short stacking energy: -83.568 Base-Backbone interact. energy: 3.555 local terms energy: -209.601598 where: bonds (distance) C4'-P energy: -54.102 bonds (distance) P-C4' energy: -71.609 flat angles C4'-P-C4' energy: -66.001 flat angles P-C4'-P energy: -34.339 tors. eta vs tors. theta energy: 16.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1368.996589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.996589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.996589 (E_RNA) where: Base-Base interactions energy: -957.344 where: short stacking energy: -418.223 Base-Backbone interact. energy: -2.607 local terms energy: -409.046013 where: bonds (distance) C4'-P energy: -72.558 bonds (distance) P-C4' energy: -79.848 flat angles C4'-P-C4' energy: -87.227 flat angles P-C4'-P energy: -51.238 tors. eta vs tors. theta energy: -118.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1345.591611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.591611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.591611 (E_RNA) where: Base-Base interactions energy: -900.354 where: short stacking energy: -386.618 Base-Backbone interact. energy: -2.010 local terms energy: -443.227517 where: bonds (distance) C4'-P energy: -83.682 bonds (distance) P-C4' energy: -82.261 flat angles C4'-P-C4' energy: -89.639 flat angles P-C4'-P energy: -64.887 tors. eta vs tors. theta energy: -122.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1250.234514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.234514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.234514 (E_RNA) where: Base-Base interactions energy: -838.757 where: short stacking energy: -359.103 Base-Backbone interact. energy: -0.721 local terms energy: -410.756007 where: bonds (distance) C4'-P energy: -72.008 bonds (distance) P-C4' energy: -86.515 flat angles C4'-P-C4' energy: -74.148 flat angles P-C4'-P energy: -64.122 tors. eta vs tors. theta energy: -113.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1213.303857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.303857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.303857 (E_RNA) where: Base-Base interactions energy: -833.446 where: short stacking energy: -376.033 Base-Backbone interact. energy: -0.741 local terms energy: -379.117577 where: bonds (distance) C4'-P energy: -55.810 bonds (distance) P-C4' energy: -77.441 flat angles C4'-P-C4' energy: -86.213 flat angles P-C4'-P energy: -55.380 tors. eta vs tors. theta energy: -104.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1143.877313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.877313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.877313 (E_RNA) where: Base-Base interactions energy: -791.246 where: short stacking energy: -335.056 Base-Backbone interact. energy: -1.111 local terms energy: -351.520985 where: bonds (distance) C4'-P energy: -67.485 bonds (distance) P-C4' energy: -85.133 flat angles C4'-P-C4' energy: -69.731 flat angles P-C4'-P energy: -35.215 tors. eta vs tors. theta energy: -93.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1031.821701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.821701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.821701 (E_RNA) where: Base-Base interactions energy: -717.257 where: short stacking energy: -303.210 Base-Backbone interact. energy: -1.668 local terms energy: -312.896693 where: bonds (distance) C4'-P energy: -46.356 bonds (distance) P-C4' energy: -60.543 flat angles C4'-P-C4' energy: -75.785 flat angles P-C4'-P energy: -44.238 tors. eta vs tors. theta energy: -85.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -930.492790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.492790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.492790 (E_RNA) where: Base-Base interactions energy: -599.954 where: short stacking energy: -279.113 Base-Backbone interact. energy: 0.744 local terms energy: -331.282726 where: bonds (distance) C4'-P energy: -70.957 bonds (distance) P-C4' energy: -58.269 flat angles C4'-P-C4' energy: -65.402 flat angles P-C4'-P energy: -44.210 tors. eta vs tors. theta energy: -92.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -706.921158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.921158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.921158 (E_RNA) where: Base-Base interactions energy: -426.364 where: short stacking energy: -206.897 Base-Backbone interact. energy: -2.176 local terms energy: -278.380604 where: bonds (distance) C4'-P energy: -70.377 bonds (distance) P-C4' energy: -65.561 flat angles C4'-P-C4' energy: -70.155 flat angles P-C4'-P energy: -33.914 tors. eta vs tors. theta energy: -38.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -361.521622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.521622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.521622 (E_RNA) where: Base-Base interactions energy: -139.704 where: short stacking energy: -119.395 Base-Backbone interact. energy: 4.087 local terms energy: -225.904790 where: bonds (distance) C4'-P energy: -63.760 bonds (distance) P-C4' energy: -67.699 flat angles C4'-P-C4' energy: -44.893 flat angles P-C4'-P energy: -54.045 tors. eta vs tors. theta energy: 4.492 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: 10, replica: 1 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -405.235868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.235868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.235868 (E_RNA) where: Base-Base interactions energy: -186.148 where: short stacking energy: -115.401 Base-Backbone interact. energy: -1.353 local terms energy: -217.734380 where: bonds (distance) C4'-P energy: -69.770 bonds (distance) P-C4' energy: -61.543 flat angles C4'-P-C4' energy: -52.753 flat angles P-C4'-P energy: -38.822 tors. eta vs tors. theta energy: 5.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1346.459422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.459422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.459422 (E_RNA) where: Base-Base interactions energy: -926.286 where: short stacking energy: -408.250 Base-Backbone interact. energy: -1.557 local terms energy: -418.616858 where: bonds (distance) C4'-P energy: -79.476 bonds (distance) P-C4' energy: -76.887 flat angles C4'-P-C4' energy: -86.612 flat angles P-C4'-P energy: -62.286 tors. eta vs tors. theta energy: -113.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1313.817187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.817187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.817187 (E_RNA) where: Base-Base interactions energy: -916.936 where: short stacking energy: -409.217 Base-Backbone interact. energy: -0.812 local terms energy: -396.068897 where: bonds (distance) C4'-P energy: -64.392 bonds (distance) P-C4' energy: -72.420 flat angles C4'-P-C4' energy: -86.805 flat angles P-C4'-P energy: -55.098 tors. eta vs tors. theta energy: -117.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1256.444835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.444835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.444835 (E_RNA) where: Base-Base interactions energy: -845.011 where: short stacking energy: -364.042 Base-Backbone interact. energy: 0.859 local terms energy: -412.293005 where: bonds (distance) C4'-P energy: -82.713 bonds (distance) P-C4' energy: -83.428 flat angles C4'-P-C4' energy: -87.211 flat angles P-C4'-P energy: -46.636 tors. eta vs tors. theta energy: -112.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1232.760800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.760800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.760800 (E_RNA) where: Base-Base interactions energy: -843.967 where: short stacking energy: -399.736 Base-Backbone interact. energy: -0.816 local terms energy: -387.977419 where: bonds (distance) C4'-P energy: -69.613 bonds (distance) P-C4' energy: -75.782 flat angles C4'-P-C4' energy: -74.681 flat angles P-C4'-P energy: -48.239 tors. eta vs tors. theta energy: -119.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1218.324976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.324976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.324976 (E_RNA) where: Base-Base interactions energy: -844.808 where: short stacking energy: -345.307 Base-Backbone interact. energy: -1.595 local terms energy: -371.921477 where: bonds (distance) C4'-P energy: -60.044 bonds (distance) P-C4' energy: -76.429 flat angles C4'-P-C4' energy: -82.299 flat angles P-C4'-P energy: -47.933 tors. eta vs tors. theta energy: -105.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1006.941659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.941659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.941659 (E_RNA) where: Base-Base interactions energy: -667.971 where: short stacking energy: -271.262 Base-Backbone interact. energy: -0.862 local terms energy: -338.108091 where: bonds (distance) C4'-P energy: -69.002 bonds (distance) P-C4' energy: -73.085 flat angles C4'-P-C4' energy: -76.775 flat angles P-C4'-P energy: -46.132 tors. eta vs tors. theta energy: -73.114 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: 6 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -960.897614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.897614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.897614 (E_RNA) where: Base-Base interactions energy: -650.659 where: short stacking energy: -281.975 Base-Backbone interact. energy: 0.515 local terms energy: -310.753814 where: bonds (distance) C4'-P energy: -67.808 bonds (distance) P-C4' energy: -60.835 flat angles C4'-P-C4' energy: -76.322 flat angles P-C4'-P energy: -43.933 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: 8, replica: 10 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -708.419916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.419916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.419916 (E_RNA) where: Base-Base interactions energy: -438.101 where: short stacking energy: -215.984 Base-Backbone interact. energy: -1.057 local terms energy: -269.261545 where: bonds (distance) C4'-P energy: -58.351 bonds (distance) P-C4' energy: -70.937 flat angles C4'-P-C4' energy: -65.516 flat angles P-C4'-P energy: -36.225 tors. eta vs tors. theta energy: -38.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -353.820046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.820046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.820046 (E_RNA) where: Base-Base interactions energy: -151.586 where: short stacking energy: -113.390 Base-Backbone interact. energy: 1.297 local terms energy: -203.531119 where: bonds (distance) C4'-P energy: -51.993 bonds (distance) P-C4' energy: -66.536 flat angles C4'-P-C4' energy: -60.374 flat angles P-C4'-P energy: -27.733 tors. eta vs tors. theta energy: 3.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -379.287836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.287836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.287836 (E_RNA) where: Base-Base interactions energy: -156.124 where: short stacking energy: -111.145 Base-Backbone interact. energy: 1.928 local terms energy: -225.091431 where: bonds (distance) C4'-P energy: -65.205 bonds (distance) P-C4' energy: -73.689 flat angles C4'-P-C4' energy: -65.600 flat angles P-C4'-P energy: -23.079 tors. eta vs tors. theta energy: 2.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1353.597529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.597529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.597529 (E_RNA) where: Base-Base interactions energy: -893.700 where: short stacking energy: -401.690 Base-Backbone interact. energy: -1.521 local terms energy: -458.376802 where: bonds (distance) C4'-P energy: -88.866 bonds (distance) P-C4' energy: -86.535 flat angles C4'-P-C4' energy: -97.811 flat angles P-C4'-P energy: -68.949 tors. eta vs tors. theta energy: -116.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1330.770545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.770545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.770545 (E_RNA) where: Base-Base interactions energy: -928.460 where: short stacking energy: -396.118 Base-Backbone interact. energy: -2.698 local terms energy: -399.613098 where: bonds (distance) C4'-P energy: -76.848 bonds (distance) P-C4' energy: -66.432 flat angles C4'-P-C4' energy: -80.210 flat angles P-C4'-P energy: -62.009 tors. eta vs tors. theta energy: -114.114 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: 7 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1254.940454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.940454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.940454 (E_RNA) where: Base-Base interactions energy: -837.984 where: short stacking energy: -381.621 Base-Backbone interact. energy: -1.009 local terms energy: -415.947240 where: bonds (distance) C4'-P energy: -67.491 bonds (distance) P-C4' energy: -85.030 flat angles C4'-P-C4' energy: -85.876 flat angles P-C4'-P energy: -60.445 tors. eta vs tors. theta energy: -117.105 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: 4, replica: 4 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1285.408789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.408789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.408789 (E_RNA) where: Base-Base interactions energy: -889.952 where: short stacking energy: -395.724 Base-Backbone interact. energy: -1.734 local terms energy: -393.723051 where: bonds (distance) C4'-P energy: -76.939 bonds (distance) P-C4' energy: -69.166 flat angles C4'-P-C4' energy: -79.135 flat angles P-C4'-P energy: -49.332 tors. eta vs tors. theta energy: -119.151 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: 8 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1190.967511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.967511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.967511 (E_RNA) where: Base-Base interactions energy: -825.720 where: short stacking energy: -355.050 Base-Backbone interact. energy: -0.230 local terms energy: -365.016717 where: bonds (distance) C4'-P energy: -67.175 bonds (distance) P-C4' energy: -71.395 flat angles C4'-P-C4' energy: -82.815 flat angles P-C4'-P energy: -53.917 tors. eta vs tors. theta energy: -89.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1055.090230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.090230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.090230 (E_RNA) where: Base-Base interactions energy: -709.840 where: short stacking energy: -310.146 Base-Backbone interact. energy: -0.219 local terms energy: -345.031393 where: bonds (distance) C4'-P energy: -72.981 bonds (distance) P-C4' energy: -71.965 flat angles C4'-P-C4' energy: -75.906 flat angles P-C4'-P energy: -44.397 tors. eta vs tors. theta energy: -79.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1034.822079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.822079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.822079 (E_RNA) where: Base-Base interactions energy: -712.260 where: short stacking energy: -317.553 Base-Backbone interact. energy: -0.747 local terms energy: -321.814803 where: bonds (distance) C4'-P energy: -56.984 bonds (distance) P-C4' energy: -60.497 flat angles C4'-P-C4' energy: -79.130 flat angles P-C4'-P energy: -46.283 tors. eta vs tors. theta energy: -78.921 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: 10 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -695.457296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.457296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.457296 (E_RNA) where: Base-Base interactions energy: -418.629 where: short stacking energy: -197.685 Base-Backbone interact. energy: -0.253 local terms energy: -276.574997 where: bonds (distance) C4'-P energy: -72.344 bonds (distance) P-C4' energy: -62.595 flat angles C4'-P-C4' energy: -64.509 flat angles P-C4'-P energy: -39.301 tors. eta vs tors. theta energy: -37.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -426.155678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.155678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.155678 (E_RNA) where: Base-Base interactions energy: -208.245 where: short stacking energy: -118.345 Base-Backbone interact. energy: 2.332 local terms energy: -220.242470 where: bonds (distance) C4'-P energy: -56.289 bonds (distance) P-C4' energy: -71.978 flat angles C4'-P-C4' energy: -49.353 flat angles P-C4'-P energy: -32.720 tors. eta vs tors. theta energy: -9.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -346.332299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.332299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.332299 (E_RNA) where: Base-Base interactions energy: -136.464 where: short stacking energy: -104.520 Base-Backbone interact. energy: 1.425 local terms energy: -211.293605 where: bonds (distance) C4'-P energy: -68.623 bonds (distance) P-C4' energy: -62.375 flat angles C4'-P-C4' energy: -56.407 flat angles P-C4'-P energy: -40.896 tors. eta vs tors. theta energy: 17.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1340.639862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.639862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.639862 (E_RNA) where: Base-Base interactions energy: -921.905 where: short stacking energy: -420.564 Base-Backbone interact. energy: 1.158 local terms energy: -419.893162 where: bonds (distance) C4'-P energy: -70.607 bonds (distance) P-C4' energy: -71.586 flat angles C4'-P-C4' energy: -100.142 flat angles P-C4'-P energy: -54.753 tors. eta vs tors. theta energy: -122.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1345.284274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.284274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.284274 (E_RNA) where: Base-Base interactions energy: -926.070 where: short stacking energy: -406.388 Base-Backbone interact. energy: -0.133 local terms energy: -419.081021 where: bonds (distance) C4'-P energy: -71.026 bonds (distance) P-C4' energy: -75.890 flat angles C4'-P-C4' energy: -91.076 flat angles P-C4'-P energy: -65.197 tors. eta vs tors. theta energy: -115.892 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: 7 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1259.422696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.422696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.422696 (E_RNA) where: Base-Base interactions energy: -866.167 where: short stacking energy: -371.206 Base-Backbone interact. energy: 1.602 local terms energy: -394.857971 where: bonds (distance) C4'-P energy: -74.851 bonds (distance) P-C4' energy: -74.181 flat angles C4'-P-C4' energy: -85.968 flat angles P-C4'-P energy: -55.029 tors. eta vs tors. theta energy: -104.829 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: 4 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1250.709756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.709756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.709756 (E_RNA) where: Base-Base interactions energy: -847.277 where: short stacking energy: -373.646 Base-Backbone interact. energy: -0.426 local terms energy: -403.007222 where: bonds (distance) C4'-P energy: -78.905 bonds (distance) P-C4' energy: -74.601 flat angles C4'-P-C4' energy: -88.386 flat angles P-C4'-P energy: -51.240 tors. eta vs tors. theta energy: -109.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1182.701165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.701165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.701165 (E_RNA) where: Base-Base interactions energy: -806.372 where: short stacking energy: -338.795 Base-Backbone interact. energy: -0.736 local terms energy: -375.592997 where: bonds (distance) C4'-P energy: -68.664 bonds (distance) P-C4' energy: -77.245 flat angles C4'-P-C4' energy: -74.469 flat angles P-C4'-P energy: -54.612 tors. eta vs tors. theta energy: -100.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1086.919443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.919443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.919443 (E_RNA) where: Base-Base interactions energy: -740.877 where: short stacking energy: -311.788 Base-Backbone interact. energy: -2.740 local terms energy: -343.302594 where: bonds (distance) C4'-P energy: -63.617 bonds (distance) P-C4' energy: -69.870 flat angles C4'-P-C4' energy: -69.750 flat angles P-C4'-P energy: -51.839 tors. eta vs tors. theta energy: -88.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -981.575949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.575949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.575949 (E_RNA) where: Base-Base interactions energy: -651.972 where: short stacking energy: -294.894 Base-Backbone interact. energy: 0.959 local terms energy: -330.562969 where: bonds (distance) C4'-P energy: -73.935 bonds (distance) P-C4' energy: -62.759 flat angles C4'-P-C4' energy: -76.026 flat angles P-C4'-P energy: -40.043 tors. eta vs tors. theta energy: -77.801 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: 10 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -743.888928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.888928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.888928 (E_RNA) where: Base-Base interactions energy: -448.273 where: short stacking energy: -222.691 Base-Backbone interact. energy: 0.715 local terms energy: -296.330472 where: bonds (distance) C4'-P energy: -61.648 bonds (distance) P-C4' energy: -64.464 flat angles C4'-P-C4' energy: -71.946 flat angles P-C4'-P energy: -43.905 tors. eta vs tors. theta energy: -54.367 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: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -316.822072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.822072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.822072 (E_RNA) where: Base-Base interactions energy: -116.582 where: short stacking energy: -94.478 Base-Backbone interact. energy: 0.826 local terms energy: -201.066004 where: bonds (distance) C4'-P energy: -51.379 bonds (distance) P-C4' energy: -62.065 flat angles C4'-P-C4' energy: -63.612 flat angles P-C4'-P energy: -25.000 tors. eta vs tors. theta energy: 0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -329.196583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.196583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.196583 (E_RNA) where: Base-Base interactions energy: -108.570 where: short stacking energy: -107.945 Base-Backbone interact. energy: 0.328 local terms energy: -220.954685 where: bonds (distance) C4'-P energy: -57.543 bonds (distance) P-C4' energy: -64.754 flat angles C4'-P-C4' energy: -39.927 flat angles P-C4'-P energy: -47.418 tors. eta vs tors. theta energy: -11.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1348.597720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.597720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.597720 (E_RNA) where: Base-Base interactions energy: -914.176 where: short stacking energy: -407.837 Base-Backbone interact. energy: 1.436 local terms energy: -435.857124 where: bonds (distance) C4'-P energy: -76.643 bonds (distance) P-C4' energy: -83.782 flat angles C4'-P-C4' energy: -87.422 flat angles P-C4'-P energy: -68.247 tors. eta vs tors. theta energy: -119.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1345.573903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.573903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.573903 (E_RNA) where: Base-Base interactions energy: -930.415 where: short stacking energy: -413.702 Base-Backbone interact. energy: -0.146 local terms energy: -415.012869 where: bonds (distance) C4'-P energy: -73.615 bonds (distance) P-C4' energy: -78.377 flat angles C4'-P-C4' energy: -90.136 flat angles P-C4'-P energy: -53.044 tors. eta vs tors. theta energy: -119.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1310.490545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.490545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.490545 (E_RNA) where: Base-Base interactions energy: -909.275 where: short stacking energy: -383.824 Base-Backbone interact. energy: -0.715 local terms energy: -400.501013 where: bonds (distance) C4'-P energy: -76.614 bonds (distance) P-C4' energy: -72.995 flat angles C4'-P-C4' energy: -81.923 flat angles P-C4'-P energy: -55.574 tors. eta vs tors. theta energy: -113.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1206.049602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.049602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.049602 (E_RNA) where: Base-Base interactions energy: -837.023 where: short stacking energy: -356.596 Base-Backbone interact. energy: -0.182 local terms energy: -368.844378 where: bonds (distance) C4'-P energy: -68.888 bonds (distance) P-C4' energy: -61.246 flat angles C4'-P-C4' energy: -77.008 flat angles P-C4'-P energy: -53.178 tors. eta vs tors. theta energy: -108.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1208.884154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.884154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.884154 (E_RNA) where: Base-Base interactions energy: -847.508 where: short stacking energy: -352.053 Base-Backbone interact. energy: -0.860 local terms energy: -360.516197 where: bonds (distance) C4'-P energy: -51.457 bonds (distance) P-C4' energy: -77.263 flat angles C4'-P-C4' energy: -84.031 flat angles P-C4'-P energy: -45.847 tors. eta vs tors. theta energy: -101.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1067.582973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.582973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.582973 (E_RNA) where: Base-Base interactions energy: -701.981 where: short stacking energy: -300.324 Base-Backbone interact. energy: -3.440 local terms energy: -362.161465 where: bonds (distance) C4'-P energy: -59.179 bonds (distance) P-C4' energy: -75.364 flat angles C4'-P-C4' energy: -76.891 flat angles P-C4'-P energy: -60.479 tors. eta vs tors. theta energy: -90.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -986.899609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.899609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.899609 (E_RNA) where: Base-Base interactions energy: -667.857 where: short stacking energy: -288.148 Base-Backbone interact. energy: 0.906 local terms energy: -319.948549 where: bonds (distance) C4'-P energy: -51.167 bonds (distance) P-C4' energy: -75.001 flat angles C4'-P-C4' energy: -75.581 flat angles P-C4'-P energy: -45.910 tors. eta vs tors. theta energy: -72.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -722.515955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.515955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.515955 (E_RNA) where: Base-Base interactions energy: -458.971 where: short stacking energy: -208.746 Base-Backbone interact. energy: -1.888 local terms energy: -261.657447 where: bonds (distance) C4'-P energy: -60.861 bonds (distance) P-C4' energy: -64.399 flat angles C4'-P-C4' energy: -62.229 flat angles P-C4'-P energy: -42.744 tors. eta vs tors. theta energy: -31.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -352.169740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.169740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.169740 (E_RNA) where: Base-Base interactions energy: -142.720 where: short stacking energy: -116.637 Base-Backbone interact. energy: 2.237 local terms energy: -211.686705 where: bonds (distance) C4'-P energy: -52.011 bonds (distance) P-C4' energy: -70.032 flat angles C4'-P-C4' energy: -55.937 flat angles P-C4'-P energy: -33.204 tors. eta vs tors. theta energy: -0.502 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: 1 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -323.349022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.349022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.349022 (E_RNA) where: Base-Base interactions energy: -123.883 where: short stacking energy: -104.020 Base-Backbone interact. energy: -2.210 local terms energy: -197.256764 where: bonds (distance) C4'-P energy: -58.406 bonds (distance) P-C4' energy: -68.715 flat angles C4'-P-C4' energy: -50.524 flat angles P-C4'-P energy: -25.385 tors. eta vs tors. theta energy: 5.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1337.285533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.285533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.285533 (E_RNA) where: Base-Base interactions energy: -910.685 where: short stacking energy: -400.034 Base-Backbone interact. energy: -3.128 local terms energy: -423.472692 where: bonds (distance) C4'-P energy: -75.782 bonds (distance) P-C4' energy: -87.686 flat angles C4'-P-C4' energy: -88.377 flat angles P-C4'-P energy: -56.248 tors. eta vs tors. theta energy: -115.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1359.607552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.607552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.607552 (E_RNA) where: Base-Base interactions energy: -937.212 where: short stacking energy: -408.848 Base-Backbone interact. energy: -2.561 local terms energy: -419.835182 where: bonds (distance) C4'-P energy: -78.789 bonds (distance) P-C4' energy: -74.125 flat angles C4'-P-C4' energy: -91.412 flat angles P-C4'-P energy: -64.377 tors. eta vs tors. theta energy: -111.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1301.693543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.693543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.693543 (E_RNA) where: Base-Base interactions energy: -881.965 where: short stacking energy: -388.529 Base-Backbone interact. energy: -0.683 local terms energy: -419.045112 where: bonds (distance) C4'-P energy: -83.948 bonds (distance) P-C4' energy: -90.724 flat angles C4'-P-C4' energy: -79.485 flat angles P-C4'-P energy: -58.777 tors. eta vs tors. theta energy: -106.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1207.131567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.131567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.131567 (E_RNA) where: Base-Base interactions energy: -851.642 where: short stacking energy: -344.184 Base-Backbone interact. energy: -1.942 local terms energy: -353.547618 where: bonds (distance) C4'-P energy: -75.843 bonds (distance) P-C4' energy: -69.163 flat angles C4'-P-C4' energy: -72.703 flat angles P-C4'-P energy: -36.990 tors. eta vs tors. theta energy: -98.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1179.569345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.569345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.569345 (E_RNA) where: Base-Base interactions energy: -797.572 where: short stacking energy: -340.586 Base-Backbone interact. energy: -1.193 local terms energy: -380.803818 where: bonds (distance) C4'-P energy: -71.369 bonds (distance) P-C4' energy: -84.134 flat angles C4'-P-C4' energy: -74.766 flat angles P-C4'-P energy: -53.434 tors. eta vs tors. theta energy: -97.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -997.205303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.205303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.205303 (E_RNA) where: Base-Base interactions energy: -668.961 where: short stacking energy: -293.574 Base-Backbone interact. energy: -0.274 local terms energy: -327.970603 where: bonds (distance) C4'-P energy: -66.693 bonds (distance) P-C4' energy: -56.873 flat angles C4'-P-C4' energy: -82.623 flat angles P-C4'-P energy: -43.835 tors. eta vs tors. theta energy: -77.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1027.236895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.236895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.236895 (E_RNA) where: Base-Base interactions energy: -658.348 where: short stacking energy: -302.293 Base-Backbone interact. energy: -1.307 local terms energy: -367.581386 where: bonds (distance) C4'-P energy: -66.567 bonds (distance) P-C4' energy: -75.906 flat angles C4'-P-C4' energy: -79.463 flat angles P-C4'-P energy: -55.816 tors. eta vs tors. theta energy: -89.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -756.209958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.209958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.209958 (E_RNA) where: Base-Base interactions energy: -475.173 where: short stacking energy: -227.404 Base-Backbone interact. energy: -0.274 local terms energy: -280.762365 where: bonds (distance) C4'-P energy: -58.537 bonds (distance) P-C4' energy: -63.038 flat angles C4'-P-C4' energy: -61.027 flat angles P-C4'-P energy: -50.854 tors. eta vs tors. theta energy: -47.306 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: 5 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -369.173336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.173336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.173336 (E_RNA) where: Base-Base interactions energy: -160.594 where: short stacking energy: -137.330 Base-Backbone interact. energy: 1.156 local terms energy: -209.735216 where: bonds (distance) C4'-P energy: -63.730 bonds (distance) P-C4' energy: -63.408 flat angles C4'-P-C4' energy: -49.633 flat angles P-C4'-P energy: -37.262 tors. eta vs tors. theta energy: 4.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -329.621887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.621887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.621887 (E_RNA) where: Base-Base interactions energy: -107.824 where: short stacking energy: -102.038 Base-Backbone interact. energy: 3.406 local terms energy: -225.203604 where: bonds (distance) C4'-P energy: -69.968 bonds (distance) P-C4' energy: -67.937 flat angles C4'-P-C4' energy: -62.993 flat angles P-C4'-P energy: -34.379 tors. eta vs tors. theta energy: 10.073 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: 172 Temperature: 0.900000 Total energy: -1384.204059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.204059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.204059 (E_RNA) where: Base-Base interactions energy: -954.715 where: short stacking energy: -400.896 Base-Backbone interact. energy: -2.477 local terms energy: -427.012394 where: bonds (distance) C4'-P energy: -86.449 bonds (distance) P-C4' energy: -69.221 flat angles C4'-P-C4' energy: -93.836 flat angles P-C4'-P energy: -64.802 tors. eta vs tors. theta energy: -112.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1333.460134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.460134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.460134 (E_RNA) where: Base-Base interactions energy: -889.771 where: short stacking energy: -403.372 Base-Backbone interact. energy: -1.692 local terms energy: -441.997695 where: bonds (distance) C4'-P energy: -81.310 bonds (distance) P-C4' energy: -81.380 flat angles C4'-P-C4' energy: -92.250 flat angles P-C4'-P energy: -59.321 tors. eta vs tors. theta energy: -127.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1272.503733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.503733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.503733 (E_RNA) where: Base-Base interactions energy: -879.066 where: short stacking energy: -362.892 Base-Backbone interact. energy: -1.067 local terms energy: -392.370855 where: bonds (distance) C4'-P energy: -84.790 bonds (distance) P-C4' energy: -68.474 flat angles C4'-P-C4' energy: -77.081 flat angles P-C4'-P energy: -55.152 tors. eta vs tors. theta energy: -106.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1241.280135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.280135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.280135 (E_RNA) where: Base-Base interactions energy: -866.532 where: short stacking energy: -353.959 Base-Backbone interact. energy: -2.675 local terms energy: -372.073673 where: bonds (distance) C4'-P energy: -68.505 bonds (distance) P-C4' energy: -80.280 flat angles C4'-P-C4' energy: -80.761 flat angles P-C4'-P energy: -46.911 tors. eta vs tors. theta energy: -95.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1060.044126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.044126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.044126 (E_RNA) where: Base-Base interactions energy: -705.465 where: short stacking energy: -299.068 Base-Backbone interact. energy: -0.672 local terms energy: -353.907091 where: bonds (distance) C4'-P energy: -61.668 bonds (distance) P-C4' energy: -76.634 flat angles C4'-P-C4' energy: -77.747 flat angles P-C4'-P energy: -53.461 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: 6, replica: 7 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1145.359017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.359017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.359017 (E_RNA) where: Base-Base interactions energy: -783.308 where: short stacking energy: -331.407 Base-Backbone interact. energy: -1.109 local terms energy: -360.942017 where: bonds (distance) C4'-P energy: -75.360 bonds (distance) P-C4' energy: -63.062 flat angles C4'-P-C4' energy: -73.108 flat angles P-C4'-P energy: -47.883 tors. eta vs tors. theta energy: -101.528 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: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1042.686626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.686626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.686626 (E_RNA) where: Base-Base interactions energy: -689.815 where: short stacking energy: -303.889 Base-Backbone interact. energy: -2.229 local terms energy: -350.642748 where: bonds (distance) C4'-P energy: -63.113 bonds (distance) P-C4' energy: -75.382 flat angles C4'-P-C4' energy: -75.469 flat angles P-C4'-P energy: -55.505 tors. eta vs tors. theta energy: -81.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -796.754612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.754612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.754612 (E_RNA) where: Base-Base interactions energy: -497.434 where: short stacking energy: -235.849 Base-Backbone interact. energy: -0.668 local terms energy: -298.653551 where: bonds (distance) C4'-P energy: -60.717 bonds (distance) P-C4' energy: -65.279 flat angles C4'-P-C4' energy: -73.388 flat angles P-C4'-P energy: -51.720 tors. eta vs tors. theta energy: -47.550 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: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -345.448210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.448210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.448210 (E_RNA) where: Base-Base interactions energy: -126.808 where: short stacking energy: -102.867 Base-Backbone interact. energy: 5.584 local terms energy: -224.224964 where: bonds (distance) C4'-P energy: -55.875 bonds (distance) P-C4' energy: -76.903 flat angles C4'-P-C4' energy: -60.299 flat angles P-C4'-P energy: -36.330 tors. eta vs tors. theta energy: 5.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -319.157457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.157457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.157457 (E_RNA) where: Base-Base interactions energy: -104.795 where: short stacking energy: -86.000 Base-Backbone interact. energy: 0.372 local terms energy: -214.734442 where: bonds (distance) C4'-P energy: -65.606 bonds (distance) P-C4' energy: -58.752 flat angles C4'-P-C4' energy: -56.137 flat angles P-C4'-P energy: -32.052 tors. eta vs tors. theta energy: -2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1357.131629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.131629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.131629 (E_RNA) where: Base-Base interactions energy: -939.798 where: short stacking energy: -426.134 Base-Backbone interact. energy: -0.793 local terms energy: -416.540634 where: bonds (distance) C4'-P energy: -70.452 bonds (distance) P-C4' energy: -82.594 flat angles C4'-P-C4' energy: -86.880 flat angles P-C4'-P energy: -63.373 tors. eta vs tors. theta energy: -113.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1351.189304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.189304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.189304 (E_RNA) where: Base-Base interactions energy: -927.906 where: short stacking energy: -401.831 Base-Backbone interact. energy: -2.719 local terms energy: -420.564195 where: bonds (distance) C4'-P energy: -71.164 bonds (distance) P-C4' energy: -71.862 flat angles C4'-P-C4' energy: -95.607 flat angles P-C4'-P energy: -51.274 tors. eta vs tors. theta energy: -130.658 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: 4 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1260.620220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.620220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.620220 (E_RNA) where: Base-Base interactions energy: -883.805 where: short stacking energy: -346.193 Base-Backbone interact. energy: -1.915 local terms energy: -374.900226 where: bonds (distance) C4'-P energy: -60.942 bonds (distance) P-C4' energy: -73.023 flat angles C4'-P-C4' energy: -86.809 flat angles P-C4'-P energy: -54.475 tors. eta vs tors. theta energy: -99.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1232.690255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.690255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.690255 (E_RNA) where: Base-Base interactions energy: -845.467 where: short stacking energy: -362.762 Base-Backbone interact. energy: -1.786 local terms energy: -385.437491 where: bonds (distance) C4'-P energy: -55.850 bonds (distance) P-C4' energy: -85.393 flat angles C4'-P-C4' energy: -88.556 flat angles P-C4'-P energy: -53.720 tors. eta vs tors. theta energy: -101.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1055.768105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.768105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.768105 (E_RNA) where: Base-Base interactions energy: -699.239 where: short stacking energy: -302.217 Base-Backbone interact. energy: -1.703 local terms energy: -354.825893 where: bonds (distance) C4'-P energy: -70.033 bonds (distance) P-C4' energy: -74.556 flat angles C4'-P-C4' energy: -86.547 flat angles P-C4'-P energy: -43.300 tors. eta vs tors. theta energy: -80.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1116.928412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.928412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.928412 (E_RNA) where: Base-Base interactions energy: -754.227 where: short stacking energy: -342.045 Base-Backbone interact. energy: -1.176 local terms energy: -361.525496 where: bonds (distance) C4'-P energy: -62.445 bonds (distance) P-C4' energy: -69.640 flat angles C4'-P-C4' energy: -79.918 flat angles P-C4'-P energy: -53.154 tors. eta vs tors. theta energy: -96.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -970.372092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.372092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.372092 (E_RNA) where: Base-Base interactions energy: -642.582 where: short stacking energy: -296.805 Base-Backbone interact. energy: 2.722 local terms energy: -330.511740 where: bonds (distance) C4'-P energy: -53.958 bonds (distance) P-C4' energy: -71.200 flat angles C4'-P-C4' energy: -71.812 flat angles P-C4'-P energy: -54.079 tors. eta vs tors. theta energy: -79.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -709.210505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.210505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.210505 (E_RNA) where: Base-Base interactions energy: -451.190 where: short stacking energy: -207.989 Base-Backbone interact. energy: -1.043 local terms energy: -256.977762 where: bonds (distance) C4'-P energy: -62.437 bonds (distance) P-C4' energy: -59.096 flat angles C4'-P-C4' energy: -66.036 flat angles P-C4'-P energy: -30.315 tors. eta vs tors. theta energy: -39.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -346.978510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.978510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.978510 (E_RNA) where: Base-Base interactions energy: -121.023 where: short stacking energy: -87.340 Base-Backbone interact. energy: -0.776 local terms energy: -225.179499 where: bonds (distance) C4'-P energy: -65.541 bonds (distance) P-C4' energy: -71.323 flat angles C4'-P-C4' energy: -68.092 flat angles P-C4'-P energy: -27.102 tors. eta vs tors. theta energy: 6.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -327.238585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.238585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.238585 (E_RNA) where: Base-Base interactions energy: -117.870 where: short stacking energy: -112.367 Base-Backbone interact. energy: 0.278 local terms energy: -209.646563 where: bonds (distance) C4'-P energy: -61.185 bonds (distance) P-C4' energy: -50.320 flat angles C4'-P-C4' energy: -56.216 flat angles P-C4'-P energy: -43.527 tors. eta vs tors. theta energy: 1.601 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: 2 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1333.424625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.424625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.424625 (E_RNA) where: Base-Base interactions energy: -916.475 where: short stacking energy: -410.991 Base-Backbone interact. energy: -4.075 local terms energy: -412.874556 where: bonds (distance) C4'-P energy: -74.178 bonds (distance) P-C4' energy: -84.804 flat angles C4'-P-C4' energy: -81.471 flat angles P-C4'-P energy: -49.931 tors. eta vs tors. theta energy: -122.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1337.344209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.344209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.344209 (E_RNA) where: Base-Base interactions energy: -914.895 where: short stacking energy: -402.189 Base-Backbone interact. energy: -2.934 local terms energy: -419.515688 where: bonds (distance) C4'-P energy: -85.030 bonds (distance) P-C4' energy: -81.853 flat angles C4'-P-C4' energy: -79.265 flat angles P-C4'-P energy: -62.064 tors. eta vs tors. theta energy: -111.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1302.957899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.957899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.957899 (E_RNA) where: Base-Base interactions energy: -919.879 where: short stacking energy: -383.711 Base-Backbone interact. energy: -2.094 local terms energy: -380.984824 where: bonds (distance) C4'-P energy: -58.400 bonds (distance) P-C4' energy: -70.353 flat angles C4'-P-C4' energy: -86.160 flat angles P-C4'-P energy: -53.825 tors. eta vs tors. theta energy: -112.247 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: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1241.913253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.913253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.913253 (E_RNA) where: Base-Base interactions energy: -862.096 where: short stacking energy: -359.273 Base-Backbone interact. energy: 0.229 local terms energy: -380.045758 where: bonds (distance) C4'-P energy: -66.925 bonds (distance) P-C4' energy: -65.013 flat angles C4'-P-C4' energy: -83.956 flat angles P-C4'-P energy: -56.676 tors. eta vs tors. theta energy: -107.476 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: 7 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1147.291357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.291357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.291357 (E_RNA) where: Base-Base interactions energy: -768.166 where: short stacking energy: -356.599 Base-Backbone interact. energy: 0.628 local terms energy: -379.753287 where: bonds (distance) C4'-P energy: -67.207 bonds (distance) P-C4' energy: -80.505 flat angles C4'-P-C4' energy: -79.580 flat angles P-C4'-P energy: -46.293 tors. eta vs tors. theta energy: -106.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1025.110334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.110334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.110334 (E_RNA) where: Base-Base interactions energy: -702.910 where: short stacking energy: -308.526 Base-Backbone interact. energy: -1.395 local terms energy: -320.805614 where: bonds (distance) C4'-P energy: -64.472 bonds (distance) P-C4' energy: -60.527 flat angles C4'-P-C4' energy: -73.404 flat angles P-C4'-P energy: -37.409 tors. eta vs tors. theta energy: -84.993 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: 6 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -961.279864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.279864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.279864 (E_RNA) where: Base-Base interactions energy: -627.664 where: short stacking energy: -292.459 Base-Backbone interact. energy: -0.641 local terms energy: -332.975694 where: bonds (distance) C4'-P energy: -66.539 bonds (distance) P-C4' energy: -69.914 flat angles C4'-P-C4' energy: -73.084 flat angles P-C4'-P energy: -52.146 tors. eta vs tors. theta energy: -71.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -778.715138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.715138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.715138 (E_RNA) where: Base-Base interactions energy: -493.201 where: short stacking energy: -234.998 Base-Backbone interact. energy: 0.685 local terms energy: -286.198860 where: bonds (distance) C4'-P energy: -53.988 bonds (distance) P-C4' energy: -75.317 flat angles C4'-P-C4' energy: -65.211 flat angles P-C4'-P energy: -47.871 tors. eta vs tors. theta energy: -43.811 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: 5 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -345.979268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.979268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.979268 (E_RNA) where: Base-Base interactions energy: -138.031 where: short stacking energy: -97.619 Base-Backbone interact. energy: -1.815 local terms energy: -206.132941 where: bonds (distance) C4'-P energy: -59.701 bonds (distance) P-C4' energy: -70.549 flat angles C4'-P-C4' energy: -58.372 flat angles P-C4'-P energy: -26.581 tors. eta vs tors. theta energy: 9.070 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: 10, replica: 1 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -307.676051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.676051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.676051 (E_RNA) where: Base-Base interactions energy: -123.742 where: short stacking energy: -88.734 Base-Backbone interact. energy: -0.931 local terms energy: -183.003781 where: bonds (distance) C4'-P energy: -45.824 bonds (distance) P-C4' energy: -63.392 flat angles C4'-P-C4' energy: -51.680 flat angles P-C4'-P energy: -29.703 tors. eta vs tors. theta energy: 7.596 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: 1, replica: 2 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1354.558694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.558694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.558694 (E_RNA) where: Base-Base interactions energy: -923.369 where: short stacking energy: -409.192 Base-Backbone interact. energy: -1.942 local terms energy: -429.248339 where: bonds (distance) C4'-P energy: -76.076 bonds (distance) P-C4' energy: -84.819 flat angles C4'-P-C4' energy: -92.536 flat angles P-C4'-P energy: -59.841 tors. eta vs tors. theta energy: -115.977 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: 3 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1340.681062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.681062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.681062 (E_RNA) where: Base-Base interactions energy: -926.962 where: short stacking energy: -396.627 Base-Backbone interact. energy: -1.079 local terms energy: -412.640192 where: bonds (distance) C4'-P energy: -77.115 bonds (distance) P-C4' energy: -81.310 flat angles C4'-P-C4' energy: -96.070 flat angles P-C4'-P energy: -48.113 tors. eta vs tors. theta energy: -110.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1287.222523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.222523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.222523 (E_RNA) where: Base-Base interactions energy: -878.556 where: short stacking energy: -363.549 Base-Backbone interact. energy: -0.935 local terms energy: -407.731565 where: bonds (distance) C4'-P energy: -84.292 bonds (distance) P-C4' energy: -73.108 flat angles C4'-P-C4' energy: -81.101 flat angles P-C4'-P energy: -57.071 tors. eta vs tors. theta energy: -112.160 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: 4 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1258.666028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.666028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.666028 (E_RNA) where: Base-Base interactions energy: -865.333 where: short stacking energy: -373.879 Base-Backbone interact. energy: 0.028 local terms energy: -393.361104 where: bonds (distance) C4'-P energy: -65.938 bonds (distance) P-C4' energy: -75.169 flat angles C4'-P-C4' energy: -89.017 flat angles P-C4'-P energy: -50.505 tors. eta vs tors. theta energy: -112.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1151.216264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.216264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.216264 (E_RNA) where: Base-Base interactions energy: -780.419 where: short stacking energy: -348.229 Base-Backbone interact. energy: -0.863 local terms energy: -369.935001 where: bonds (distance) C4'-P energy: -73.959 bonds (distance) P-C4' energy: -68.083 flat angles C4'-P-C4' energy: -86.275 flat angles P-C4'-P energy: -45.184 tors. eta vs tors. theta energy: -96.433 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: 9 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1031.240660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.240660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.240660 (E_RNA) where: Base-Base interactions energy: -672.993 where: short stacking energy: -285.207 Base-Backbone interact. energy: -0.944 local terms energy: -357.303987 where: bonds (distance) C4'-P energy: -66.381 bonds (distance) P-C4' energy: -66.235 flat angles C4'-P-C4' energy: -86.412 flat angles P-C4'-P energy: -51.132 tors. eta vs tors. theta energy: -87.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -936.952132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.952132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.952132 (E_RNA) where: Base-Base interactions energy: -599.622 where: short stacking energy: -273.448 Base-Backbone interact. energy: 0.144 local terms energy: -337.474340 where: bonds (distance) C4'-P energy: -72.429 bonds (distance) P-C4' energy: -60.843 flat angles C4'-P-C4' energy: -73.411 flat angles P-C4'-P energy: -55.292 tors. eta vs tors. theta energy: -75.500 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: 10 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -742.117657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.117657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.117657 (E_RNA) where: Base-Base interactions energy: -479.543 where: short stacking energy: -233.130 Base-Backbone interact. energy: 2.365 local terms energy: -264.940248 where: bonds (distance) C4'-P energy: -56.875 bonds (distance) P-C4' energy: -55.260 flat angles C4'-P-C4' energy: -80.540 flat angles P-C4'-P energy: -33.622 tors. eta vs tors. theta energy: -38.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -419.006255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.006255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.006255 (E_RNA) where: Base-Base interactions energy: -195.537 where: short stacking energy: -126.778 Base-Backbone interact. energy: -0.517 local terms energy: -222.952097 where: bonds (distance) C4'-P energy: -63.110 bonds (distance) P-C4' energy: -69.816 flat angles C4'-P-C4' energy: -53.845 flat angles P-C4'-P energy: -40.612 tors. eta vs tors. theta energy: 4.431 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: 1 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -310.826962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.826962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.826962 (E_RNA) where: Base-Base interactions energy: -104.618 where: short stacking energy: -85.697 Base-Backbone interact. energy: -1.551 local terms energy: -204.658112 where: bonds (distance) C4'-P energy: -53.634 bonds (distance) P-C4' energy: -73.428 flat angles C4'-P-C4' energy: -59.331 flat angles P-C4'-P energy: -28.159 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: 3 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1362.102677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.102677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.102677 (E_RNA) where: Base-Base interactions energy: -945.965 where: short stacking energy: -408.549 Base-Backbone interact. energy: 0.055 local terms energy: -416.192186 where: bonds (distance) C4'-P energy: -79.842 bonds (distance) P-C4' energy: -69.276 flat angles C4'-P-C4' energy: -86.091 flat angles P-C4'-P energy: -63.352 tors. eta vs tors. theta energy: -117.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1316.218086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.218086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.218086 (E_RNA) where: Base-Base interactions energy: -903.424 where: short stacking energy: -396.450 Base-Backbone interact. energy: -2.115 local terms energy: -410.678390 where: bonds (distance) C4'-P energy: -77.382 bonds (distance) P-C4' energy: -79.235 flat angles C4'-P-C4' energy: -80.587 flat angles P-C4'-P energy: -50.706 tors. eta vs tors. theta energy: -122.768 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: 8 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1288.232611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.232611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.232611 (E_RNA) where: Base-Base interactions energy: -895.113 where: short stacking energy: -371.820 Base-Backbone interact. energy: 0.018 local terms energy: -393.137108 where: bonds (distance) C4'-P energy: -75.727 bonds (distance) P-C4' energy: -67.364 flat angles C4'-P-C4' energy: -80.555 flat angles P-C4'-P energy: -55.782 tors. eta vs tors. theta energy: -113.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1239.466669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.466669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.466669 (E_RNA) where: Base-Base interactions energy: -840.193 where: short stacking energy: -376.514 Base-Backbone interact. energy: -0.951 local terms energy: -398.322317 where: bonds (distance) C4'-P energy: -84.716 bonds (distance) P-C4' energy: -61.563 flat angles C4'-P-C4' energy: -88.013 flat angles P-C4'-P energy: -47.835 tors. eta vs tors. theta energy: -116.194 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: 7 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1186.717391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.717391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.717391 (E_RNA) where: Base-Base interactions energy: -812.227 where: short stacking energy: -346.599 Base-Backbone interact. energy: -1.425 local terms energy: -373.064587 where: bonds (distance) C4'-P energy: -64.034 bonds (distance) P-C4' energy: -85.561 flat angles C4'-P-C4' energy: -79.703 flat angles P-C4'-P energy: -45.856 tors. eta vs tors. theta energy: -97.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1028.322041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.322041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.322041 (E_RNA) where: Base-Base interactions energy: -712.488 where: short stacking energy: -318.067 Base-Backbone interact. energy: -1.016 local terms energy: -314.818491 where: bonds (distance) C4'-P energy: -75.303 bonds (distance) P-C4' energy: -55.687 flat angles C4'-P-C4' energy: -69.699 flat angles P-C4'-P energy: -30.436 tors. eta vs tors. theta energy: -83.694 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: 7, replica: 6 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -975.162917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.162917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.162917 (E_RNA) where: Base-Base interactions energy: -668.020 where: short stacking energy: -313.997 Base-Backbone interact. energy: -1.714 local terms energy: -305.428333 where: bonds (distance) C4'-P energy: -49.022 bonds (distance) P-C4' energy: -62.101 flat angles C4'-P-C4' energy: -73.262 flat angles P-C4'-P energy: -44.553 tors. eta vs tors. theta energy: -76.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -736.327886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.327886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.327886 (E_RNA) where: Base-Base interactions energy: -465.384 where: short stacking energy: -200.012 Base-Backbone interact. energy: -0.879 local terms energy: -270.064817 where: bonds (distance) C4'-P energy: -57.832 bonds (distance) P-C4' energy: -65.004 flat angles C4'-P-C4' energy: -69.550 flat angles P-C4'-P energy: -43.569 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: 5 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -428.785624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.785624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.785624 (E_RNA) where: Base-Base interactions energy: -190.641 where: short stacking energy: -125.824 Base-Backbone interact. energy: 0.048 local terms energy: -238.191811 where: bonds (distance) C4'-P energy: -40.023 bonds (distance) P-C4' energy: -73.247 flat angles C4'-P-C4' energy: -66.228 flat angles P-C4'-P energy: -53.710 tors. eta vs tors. theta energy: -4.983 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: 1 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -328.593478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.593478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.593478 (E_RNA) where: Base-Base interactions energy: -134.485 where: short stacking energy: -96.497 Base-Backbone interact. energy: 0.732 local terms energy: -194.841317 where: bonds (distance) C4'-P energy: -63.259 bonds (distance) P-C4' energy: -60.726 flat angles C4'-P-C4' energy: -47.168 flat angles P-C4'-P energy: -34.380 tors. eta vs tors. theta energy: 10.691 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: 3 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1377.163961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.163961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.163961 (E_RNA) where: Base-Base interactions energy: -943.790 where: short stacking energy: -401.563 Base-Backbone interact. energy: -3.556 local terms energy: -429.817678 where: bonds (distance) C4'-P energy: -81.397 bonds (distance) P-C4' energy: -86.100 flat angles C4'-P-C4' energy: -90.566 flat angles P-C4'-P energy: -61.752 tors. eta vs tors. theta energy: -110.002 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: 8 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1315.023891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.023891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.023891 (E_RNA) where: Base-Base interactions energy: -914.709 where: short stacking energy: -385.574 Base-Backbone interact. energy: -2.479 local terms energy: -397.835074 where: bonds (distance) C4'-P energy: -71.699 bonds (distance) P-C4' energy: -77.999 flat angles C4'-P-C4' energy: -81.546 flat angles P-C4'-P energy: -64.577 tors. eta vs tors. theta energy: -102.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1299.243410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.243410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.243410 (E_RNA) where: Base-Base interactions energy: -889.463 where: short stacking energy: -398.519 Base-Backbone interact. energy: -1.207 local terms energy: -408.573294 where: bonds (distance) C4'-P energy: -62.841 bonds (distance) P-C4' energy: -77.413 flat angles C4'-P-C4' energy: -84.405 flat angles P-C4'-P energy: -61.653 tors. eta vs tors. theta energy: -122.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1213.378079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.378079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.378079 (E_RNA) where: Base-Base interactions energy: -815.370 where: short stacking energy: -347.950 Base-Backbone interact. energy: -0.572 local terms energy: -397.435500 where: bonds (distance) C4'-P energy: -79.982 bonds (distance) P-C4' energy: -79.226 flat angles C4'-P-C4' energy: -78.342 flat angles P-C4'-P energy: -58.361 tors. eta vs tors. theta energy: -101.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1168.549781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.549781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.549781 (E_RNA) where: Base-Base interactions energy: -787.628 where: short stacking energy: -356.093 Base-Backbone interact. energy: -0.572 local terms energy: -380.349680 where: bonds (distance) C4'-P energy: -71.366 bonds (distance) P-C4' energy: -76.553 flat angles C4'-P-C4' energy: -78.118 flat angles P-C4'-P energy: -57.157 tors. eta vs tors. theta energy: -97.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1010.132516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.132516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.132516 (E_RNA) where: Base-Base interactions energy: -661.133 where: short stacking energy: -296.330 Base-Backbone interact. energy: -1.784 local terms energy: -347.215411 where: bonds (distance) C4'-P energy: -80.531 bonds (distance) P-C4' energy: -61.559 flat angles C4'-P-C4' energy: -80.470 flat angles P-C4'-P energy: -42.273 tors. eta vs tors. theta energy: -82.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -979.948825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.948825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.948825 (E_RNA) where: Base-Base interactions energy: -656.921 where: short stacking energy: -287.939 Base-Backbone interact. energy: -1.681 local terms energy: -321.346514 where: bonds (distance) C4'-P energy: -64.422 bonds (distance) P-C4' energy: -64.000 flat angles C4'-P-C4' energy: -66.774 flat angles P-C4'-P energy: -58.493 tors. eta vs tors. theta energy: -67.657 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: 10 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -673.968558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.968558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.968558 (E_RNA) where: Base-Base interactions energy: -410.679 where: short stacking energy: -197.852 Base-Backbone interact. energy: -0.152 local terms energy: -263.137901 where: bonds (distance) C4'-P energy: -65.493 bonds (distance) P-C4' energy: -67.022 flat angles C4'-P-C4' energy: -62.772 flat angles P-C4'-P energy: -36.379 tors. eta vs tors. theta energy: -31.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -439.280722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.280722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.280722 (E_RNA) where: Base-Base interactions energy: -199.381 where: short stacking energy: -115.714 Base-Backbone interact. energy: -3.350 local terms energy: -236.549191 where: bonds (distance) C4'-P energy: -64.277 bonds (distance) P-C4' energy: -68.234 flat angles C4'-P-C4' energy: -59.417 flat angles P-C4'-P energy: -47.060 tors. eta vs tors. theta energy: 2.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -353.146342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.146342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.146342 (E_RNA) where: Base-Base interactions energy: -143.549 where: short stacking energy: -117.498 Base-Backbone interact. energy: -1.171 local terms energy: -208.426409 where: bonds (distance) C4'-P energy: -51.747 bonds (distance) P-C4' energy: -67.534 flat angles C4'-P-C4' energy: -57.245 flat angles P-C4'-P energy: -28.013 tors. eta vs tors. theta energy: -3.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1378.556788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.556788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.556788 (E_RNA) where: Base-Base interactions energy: -970.384 where: short stacking energy: -420.509 Base-Backbone interact. energy: -1.072 local terms energy: -407.100208 where: bonds (distance) C4'-P energy: -68.964 bonds (distance) P-C4' energy: -79.322 flat angles C4'-P-C4' energy: -89.277 flat angles P-C4'-P energy: -51.583 tors. eta vs tors. theta energy: -117.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1341.519969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.519969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.519969 (E_RNA) where: Base-Base interactions energy: -942.157 where: short stacking energy: -384.094 Base-Backbone interact. energy: -1.578 local terms energy: -397.784891 where: bonds (distance) C4'-P energy: -72.318 bonds (distance) P-C4' energy: -78.511 flat angles C4'-P-C4' energy: -86.491 flat angles P-C4'-P energy: -59.192 tors. eta vs tors. theta energy: -101.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1317.984645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.984645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.984645 (E_RNA) where: Base-Base interactions energy: -931.723 where: short stacking energy: -400.763 Base-Backbone interact. energy: -0.613 local terms energy: -385.648834 where: bonds (distance) C4'-P energy: -78.872 bonds (distance) P-C4' energy: -69.553 flat angles C4'-P-C4' energy: -73.191 flat angles P-C4'-P energy: -47.551 tors. eta vs tors. theta energy: -116.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1222.206547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.206547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.206547 (E_RNA) where: Base-Base interactions energy: -842.115 where: short stacking energy: -372.995 Base-Backbone interact. energy: -0.446 local terms energy: -379.645885 where: bonds (distance) C4'-P energy: -72.557 bonds (distance) P-C4' energy: -76.411 flat angles C4'-P-C4' energy: -81.235 flat angles P-C4'-P energy: -46.889 tors. eta vs tors. theta energy: -102.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1201.681117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.681117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.681117 (E_RNA) where: Base-Base interactions energy: -827.073 where: short stacking energy: -383.030 Base-Backbone interact. energy: -0.956 local terms energy: -373.652738 where: bonds (distance) C4'-P energy: -62.282 bonds (distance) P-C4' energy: -58.749 flat angles C4'-P-C4' energy: -90.488 flat angles P-C4'-P energy: -50.056 tors. eta vs tors. theta energy: -112.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1012.202387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.202387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.202387 (E_RNA) where: Base-Base interactions energy: -684.636 where: short stacking energy: -304.496 Base-Backbone interact. energy: -0.776 local terms energy: -326.790081 where: bonds (distance) C4'-P energy: -64.336 bonds (distance) P-C4' energy: -65.168 flat angles C4'-P-C4' energy: -78.729 flat angles P-C4'-P energy: -40.624 tors. eta vs tors. theta energy: -77.934 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: 9 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -972.902589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.902589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.902589 (E_RNA) where: Base-Base interactions energy: -642.429 where: short stacking energy: -288.331 Base-Backbone interact. energy: -0.999 local terms energy: -329.474386 where: bonds (distance) C4'-P energy: -70.722 bonds (distance) P-C4' energy: -69.402 flat angles C4'-P-C4' energy: -72.266 flat angles P-C4'-P energy: -40.859 tors. eta vs tors. theta energy: -76.225 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: 178 Temperature: 1.250000 Total energy: -700.222613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.222613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.222613 (E_RNA) where: Base-Base interactions energy: -433.477 where: short stacking energy: -207.633 Base-Backbone interact. energy: -0.610 local terms energy: -266.135506 where: bonds (distance) C4'-P energy: -65.633 bonds (distance) P-C4' energy: -66.384 flat angles C4'-P-C4' energy: -59.411 flat angles P-C4'-P energy: -35.346 tors. eta vs tors. theta energy: -39.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -492.429525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.429525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.429525 (E_RNA) where: Base-Base interactions energy: -259.403 where: short stacking energy: -169.236 Base-Backbone interact. energy: -0.172 local terms energy: -232.854415 where: bonds (distance) C4'-P energy: -48.518 bonds (distance) P-C4' energy: -67.562 flat angles C4'-P-C4' energy: -60.351 flat angles P-C4'-P energy: -39.967 tors. eta vs tors. theta energy: -16.456 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: 178 Temperature: 1.350000 Total energy: -323.430401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.430401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.430401 (E_RNA) where: Base-Base interactions energy: -114.231 where: short stacking energy: -84.903 Base-Backbone interact. energy: 3.507 local terms energy: -212.706439 where: bonds (distance) C4'-P energy: -73.479 bonds (distance) P-C4' energy: -66.798 flat angles C4'-P-C4' energy: -63.295 flat angles P-C4'-P energy: -20.304 tors. eta vs tors. theta energy: 11.170 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: 1, replica: 3 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1374.246394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.246394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.246394 (E_RNA) where: Base-Base interactions energy: -948.643 where: short stacking energy: -413.441 Base-Backbone interact. energy: -3.994 local terms energy: -421.609345 where: bonds (distance) C4'-P energy: -76.546 bonds (distance) P-C4' energy: -86.598 flat angles C4'-P-C4' energy: -86.565 flat angles P-C4'-P energy: -64.767 tors. eta vs tors. theta energy: -107.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1310.386797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.386797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.386797 (E_RNA) where: Base-Base interactions energy: -916.930 where: short stacking energy: -386.590 Base-Backbone interact. energy: -3.443 local terms energy: -390.013410 where: bonds (distance) C4'-P energy: -78.997 bonds (distance) P-C4' energy: -71.805 flat angles C4'-P-C4' energy: -78.949 flat angles P-C4'-P energy: -57.007 tors. eta vs tors. theta energy: -103.256 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: 3, replica: 2 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1299.909770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.909770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.909770 (E_RNA) where: Base-Base interactions energy: -873.774 where: short stacking energy: -399.839 Base-Backbone interact. energy: -5.181 local terms energy: -420.954573 where: bonds (distance) C4'-P energy: -76.666 bonds (distance) P-C4' energy: -81.880 flat angles C4'-P-C4' energy: -86.892 flat angles P-C4'-P energy: -58.044 tors. eta vs tors. theta energy: -117.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1220.619682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.619682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.619682 (E_RNA) where: Base-Base interactions energy: -832.446 where: short stacking energy: -360.074 Base-Backbone interact. energy: -2.488 local terms energy: -385.685591 where: bonds (distance) C4'-P energy: -65.680 bonds (distance) P-C4' energy: -78.506 flat angles C4'-P-C4' energy: -83.950 flat angles P-C4'-P energy: -47.093 tors. eta vs tors. theta energy: -110.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1195.491814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.491814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.491814 (E_RNA) where: Base-Base interactions energy: -806.000 where: short stacking energy: -340.702 Base-Backbone interact. energy: -1.466 local terms energy: -388.025841 where: bonds (distance) C4'-P energy: -74.867 bonds (distance) P-C4' energy: -78.550 flat angles C4'-P-C4' energy: -81.751 flat angles P-C4'-P energy: -50.537 tors. eta vs tors. theta energy: -102.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -999.483635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.483635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.483635 (E_RNA) where: Base-Base interactions energy: -663.735 where: short stacking energy: -297.171 Base-Backbone interact. energy: 0.757 local terms energy: -336.505624 where: bonds (distance) C4'-P energy: -68.131 bonds (distance) P-C4' energy: -63.486 flat angles C4'-P-C4' energy: -76.799 flat angles P-C4'-P energy: -51.486 tors. eta vs tors. theta energy: -76.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -928.407150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.407150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.407150 (E_RNA) where: Base-Base interactions energy: -618.077 where: short stacking energy: -257.739 Base-Backbone interact. energy: -0.516 local terms energy: -309.814437 where: bonds (distance) C4'-P energy: -67.365 bonds (distance) P-C4' energy: -69.779 flat angles C4'-P-C4' energy: -72.164 flat angles P-C4'-P energy: -42.339 tors. eta vs tors. theta energy: -58.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -744.450617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.450617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.450617 (E_RNA) where: Base-Base interactions energy: -476.314 where: short stacking energy: -220.859 Base-Backbone interact. energy: 0.443 local terms energy: -268.579457 where: bonds (distance) C4'-P energy: -49.629 bonds (distance) P-C4' energy: -61.435 flat angles C4'-P-C4' energy: -59.629 flat angles P-C4'-P energy: -45.527 tors. eta vs tors. theta energy: -52.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -441.795633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.795633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.795633 (E_RNA) where: Base-Base interactions energy: -236.578 where: short stacking energy: -147.446 Base-Backbone interact. energy: 0.156 local terms energy: -205.372782 where: bonds (distance) C4'-P energy: -55.129 bonds (distance) P-C4' energy: -57.744 flat angles C4'-P-C4' energy: -65.176 flat angles P-C4'-P energy: -28.805 tors. eta vs tors. theta energy: 1.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -367.532630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.532630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.532630 (E_RNA) where: Base-Base interactions energy: -136.294 where: short stacking energy: -108.994 Base-Backbone interact. energy: 0.598 local terms energy: -231.836273 where: bonds (distance) C4'-P energy: -72.083 bonds (distance) P-C4' energy: -65.318 flat angles C4'-P-C4' energy: -66.781 flat angles P-C4'-P energy: -36.320 tors. eta vs tors. theta energy: 8.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1367.869289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.869289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.869289 (E_RNA) where: Base-Base interactions energy: -950.986 where: short stacking energy: -400.342 Base-Backbone interact. energy: -3.001 local terms energy: -413.882479 where: bonds (distance) C4'-P energy: -79.637 bonds (distance) P-C4' energy: -71.357 flat angles C4'-P-C4' energy: -95.030 flat angles P-C4'-P energy: -57.319 tors. eta vs tors. theta energy: -110.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1332.965338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.965338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.965338 (E_RNA) where: Base-Base interactions energy: -939.532 where: short stacking energy: -377.237 Base-Backbone interact. energy: -2.726 local terms energy: -390.707099 where: bonds (distance) C4'-P energy: -69.088 bonds (distance) P-C4' energy: -78.625 flat angles C4'-P-C4' energy: -84.893 flat angles P-C4'-P energy: -59.597 tors. eta vs tors. theta energy: -98.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1301.377607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.377607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.377607 (E_RNA) where: Base-Base interactions energy: -898.942 where: short stacking energy: -390.568 Base-Backbone interact. energy: -0.119 local terms energy: -402.316388 where: bonds (distance) C4'-P energy: -65.544 bonds (distance) P-C4' energy: -80.649 flat angles C4'-P-C4' energy: -84.237 flat angles P-C4'-P energy: -60.180 tors. eta vs tors. theta energy: -111.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1207.935859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.935859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.935859 (E_RNA) where: Base-Base interactions energy: -843.123 where: short stacking energy: -357.712 Base-Backbone interact. energy: 1.994 local terms energy: -366.806869 where: bonds (distance) C4'-P energy: -62.724 bonds (distance) P-C4' energy: -70.878 flat angles C4'-P-C4' energy: -80.820 flat angles P-C4'-P energy: -52.132 tors. eta vs tors. theta energy: -100.254 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: 5, replica: 7 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1185.670676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.670676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.670676 (E_RNA) where: Base-Base interactions energy: -811.964 where: short stacking energy: -359.142 Base-Backbone interact. energy: -2.495 local terms energy: -371.211527 where: bonds (distance) C4'-P energy: -70.390 bonds (distance) P-C4' energy: -58.205 flat angles C4'-P-C4' energy: -87.363 flat angles P-C4'-P energy: -56.374 tors. eta vs tors. theta energy: -98.879 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: 6, replica: 6 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1017.905750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.905750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.905750 (E_RNA) where: Base-Base interactions energy: -678.446 where: short stacking energy: -286.451 Base-Backbone interact. energy: -0.849 local terms energy: -338.610609 where: bonds (distance) C4'-P energy: -64.885 bonds (distance) P-C4' energy: -73.295 flat angles C4'-P-C4' energy: -84.693 flat angles P-C4'-P energy: -46.705 tors. eta vs tors. theta energy: -69.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -962.280418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.280418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.280418 (E_RNA) where: Base-Base interactions energy: -657.395 where: short stacking energy: -277.177 Base-Backbone interact. energy: 7.634 local terms energy: -312.518570 where: bonds (distance) C4'-P energy: -53.150 bonds (distance) P-C4' energy: -72.065 flat angles C4'-P-C4' energy: -74.161 flat angles P-C4'-P energy: -46.851 tors. eta vs tors. theta energy: -66.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -737.856933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.856933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.856933 (E_RNA) where: Base-Base interactions energy: -447.551 where: short stacking energy: -207.462 Base-Backbone interact. energy: 2.099 local terms energy: -292.405240 where: bonds (distance) C4'-P energy: -58.786 bonds (distance) P-C4' energy: -67.247 flat angles C4'-P-C4' energy: -67.003 flat angles P-C4'-P energy: -54.004 tors. eta vs tors. theta energy: -45.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -489.312515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.312515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.312515 (E_RNA) where: Base-Base interactions energy: -263.733 where: short stacking energy: -118.775 Base-Backbone interact. energy: 0.866 local terms energy: -226.444776 where: bonds (distance) C4'-P energy: -73.912 bonds (distance) P-C4' energy: -70.254 flat angles C4'-P-C4' energy: -48.152 flat angles P-C4'-P energy: -29.019 tors. eta vs tors. theta energy: -5.108 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: 1 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -321.775245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.775245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.775245 (E_RNA) where: Base-Base interactions energy: -113.018 where: short stacking energy: -92.492 Base-Backbone interact. energy: 4.767 local terms energy: -213.524081 where: bonds (distance) C4'-P energy: -66.577 bonds (distance) P-C4' energy: -70.812 flat angles C4'-P-C4' energy: -63.689 flat angles P-C4'-P energy: -27.351 tors. eta vs tors. theta energy: 14.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1360.819553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.819553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.819553 (E_RNA) where: Base-Base interactions energy: -946.349 where: short stacking energy: -410.559 Base-Backbone interact. energy: -1.399 local terms energy: -413.071950 where: bonds (distance) C4'-P energy: -78.210 bonds (distance) P-C4' energy: -74.276 flat angles C4'-P-C4' energy: -89.488 flat angles P-C4'-P energy: -54.485 tors. eta vs tors. theta energy: -116.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1323.722119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.722119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.722119 (E_RNA) where: Base-Base interactions energy: -929.672 where: short stacking energy: -390.596 Base-Backbone interact. energy: -0.443 local terms energy: -393.607187 where: bonds (distance) C4'-P energy: -62.948 bonds (distance) P-C4' energy: -70.703 flat angles C4'-P-C4' energy: -88.681 flat angles P-C4'-P energy: -58.701 tors. eta vs tors. theta energy: -112.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1317.425910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.425910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.425910 (E_RNA) where: Base-Base interactions energy: -907.058 where: short stacking energy: -377.817 Base-Backbone interact. energy: -1.760 local terms energy: -408.607813 where: bonds (distance) C4'-P energy: -69.413 bonds (distance) P-C4' energy: -78.060 flat angles C4'-P-C4' energy: -81.026 flat angles P-C4'-P energy: -56.058 tors. eta vs tors. theta energy: -124.050 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: 4 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1205.356756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.356756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.356756 (E_RNA) where: Base-Base interactions energy: -823.187 where: short stacking energy: -376.960 Base-Backbone interact. energy: -0.996 local terms energy: -381.173910 where: bonds (distance) C4'-P energy: -70.376 bonds (distance) P-C4' energy: -67.653 flat angles C4'-P-C4' energy: -84.806 flat angles P-C4'-P energy: -50.872 tors. eta vs tors. theta energy: -107.467 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: 7 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1181.856708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.856708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.856708 (E_RNA) where: Base-Base interactions energy: -809.333 where: short stacking energy: -361.234 Base-Backbone interact. energy: -0.975 local terms energy: -371.548572 where: bonds (distance) C4'-P energy: -77.471 bonds (distance) P-C4' energy: -68.306 flat angles C4'-P-C4' energy: -79.215 flat angles P-C4'-P energy: -42.744 tors. eta vs tors. theta energy: -103.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1025.467177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.467177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.467177 (E_RNA) where: Base-Base interactions energy: -685.362 where: short stacking energy: -306.235 Base-Backbone interact. energy: 1.173 local terms energy: -341.277592 where: bonds (distance) C4'-P energy: -59.544 bonds (distance) P-C4' energy: -64.303 flat angles C4'-P-C4' energy: -78.526 flat angles P-C4'-P energy: -56.122 tors. eta vs tors. theta energy: -82.783 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: 9 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -937.890093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.890093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.890093 (E_RNA) where: Base-Base interactions energy: -636.652 where: short stacking energy: -276.997 Base-Backbone interact. energy: -0.958 local terms energy: -300.279988 where: bonds (distance) C4'-P energy: -57.894 bonds (distance) P-C4' energy: -53.406 flat angles C4'-P-C4' energy: -78.004 flat angles P-C4'-P energy: -40.726 tors. eta vs tors. theta energy: -70.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -690.959907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.959907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.959907 (E_RNA) where: Base-Base interactions energy: -428.769 where: short stacking energy: -210.079 Base-Backbone interact. energy: 0.034 local terms energy: -262.225504 where: bonds (distance) C4'-P energy: -56.644 bonds (distance) P-C4' energy: -72.852 flat angles C4'-P-C4' energy: -63.468 flat angles P-C4'-P energy: -35.252 tors. eta vs tors. theta energy: -34.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -541.050865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.050865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.050865 (E_RNA) where: Base-Base interactions energy: -278.562 where: short stacking energy: -157.204 Base-Backbone interact. energy: -0.554 local terms energy: -261.934777 where: bonds (distance) C4'-P energy: -59.982 bonds (distance) P-C4' energy: -75.499 flat angles C4'-P-C4' energy: -73.856 flat angles P-C4'-P energy: -41.850 tors. eta vs tors. theta energy: -10.748 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: 1 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -323.002059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.002059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.002059 (E_RNA) where: Base-Base interactions energy: -113.266 where: short stacking energy: -105.238 Base-Backbone interact. energy: -2.908 local terms energy: -206.828293 where: bonds (distance) C4'-P energy: -54.610 bonds (distance) P-C4' energy: -62.931 flat angles C4'-P-C4' energy: -62.887 flat angles P-C4'-P energy: -29.445 tors. eta vs tors. theta energy: 3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1343.008258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.008258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.008258 (E_RNA) where: Base-Base interactions energy: -926.743 where: short stacking energy: -401.664 Base-Backbone interact. energy: -1.963 local terms energy: -414.302518 where: bonds (distance) C4'-P energy: -75.376 bonds (distance) P-C4' energy: -88.423 flat angles C4'-P-C4' energy: -83.564 flat angles P-C4'-P energy: -57.495 tors. eta vs tors. theta energy: -109.444 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: 2, replica: 3 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1335.212736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.212736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.212736 (E_RNA) where: Base-Base interactions energy: -925.092 where: short stacking energy: -384.705 Base-Backbone interact. energy: -0.123 local terms energy: -409.998332 where: bonds (distance) C4'-P energy: -74.132 bonds (distance) P-C4' energy: -81.203 flat angles C4'-P-C4' energy: -89.020 flat angles P-C4'-P energy: -55.686 tors. eta vs tors. theta energy: -109.957 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: 2 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1309.377620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.377620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.377620 (E_RNA) where: Base-Base interactions energy: -901.891 where: short stacking energy: -397.079 Base-Backbone interact. energy: -2.681 local terms energy: -404.805309 where: bonds (distance) C4'-P energy: -73.079 bonds (distance) P-C4' energy: -71.102 flat angles C4'-P-C4' energy: -90.847 flat angles P-C4'-P energy: -55.597 tors. eta vs tors. theta energy: -114.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1197.510766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.510766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.510766 (E_RNA) where: Base-Base interactions energy: -807.650 where: short stacking energy: -350.673 Base-Backbone interact. energy: -0.402 local terms energy: -389.459396 where: bonds (distance) C4'-P energy: -63.257 bonds (distance) P-C4' energy: -79.323 flat angles C4'-P-C4' energy: -79.255 flat angles P-C4'-P energy: -62.077 tors. eta vs tors. theta energy: -105.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1203.108242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.108242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.108242 (E_RNA) where: Base-Base interactions energy: -806.949 where: short stacking energy: -380.778 Base-Backbone interact. energy: -1.202 local terms energy: -394.957221 where: bonds (distance) C4'-P energy: -59.594 bonds (distance) P-C4' energy: -76.378 flat angles C4'-P-C4' energy: -79.915 flat angles P-C4'-P energy: -54.451 tors. eta vs tors. theta energy: -124.619 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: 6 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1045.812961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.812961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.812961 (E_RNA) where: Base-Base interactions energy: -705.420 where: short stacking energy: -320.426 Base-Backbone interact. energy: -0.721 local terms energy: -339.672634 where: bonds (distance) C4'-P energy: -61.637 bonds (distance) P-C4' energy: -65.606 flat angles C4'-P-C4' energy: -67.887 flat angles P-C4'-P energy: -61.364 tors. eta vs tors. theta energy: -83.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -930.294337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.294337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.294337 (E_RNA) where: Base-Base interactions energy: -621.868 where: short stacking energy: -279.155 Base-Backbone interact. energy: -1.664 local terms energy: -306.761954 where: bonds (distance) C4'-P energy: -61.113 bonds (distance) P-C4' energy: -65.557 flat angles C4'-P-C4' energy: -62.356 flat angles P-C4'-P energy: -48.960 tors. eta vs tors. theta energy: -68.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -763.873218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.873218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.873218 (E_RNA) where: Base-Base interactions energy: -455.992 where: short stacking energy: -225.224 Base-Backbone interact. energy: 4.417 local terms energy: -312.298523 where: bonds (distance) C4'-P energy: -62.657 bonds (distance) P-C4' energy: -73.965 flat angles C4'-P-C4' energy: -71.221 flat angles P-C4'-P energy: -47.469 tors. eta vs tors. theta energy: -56.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -522.608890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.608890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.608890 (E_RNA) where: Base-Base interactions energy: -289.120 where: short stacking energy: -117.953 Base-Backbone interact. energy: 4.487 local terms energy: -237.976073 where: bonds (distance) C4'-P energy: -61.587 bonds (distance) P-C4' energy: -64.902 flat angles C4'-P-C4' energy: -63.359 flat angles P-C4'-P energy: -35.218 tors. eta vs tors. theta energy: -12.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -371.650331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.650331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.650331 (E_RNA) where: Base-Base interactions energy: -159.515 where: short stacking energy: -122.485 Base-Backbone interact. energy: -0.589 local terms energy: -211.546457 where: bonds (distance) C4'-P energy: -65.183 bonds (distance) P-C4' energy: -63.972 flat angles C4'-P-C4' energy: -52.343 flat angles P-C4'-P energy: -22.269 tors. eta vs tors. theta energy: -7.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1348.294816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.294816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.294816 (E_RNA) where: Base-Base interactions energy: -926.659 where: short stacking energy: -392.777 Base-Backbone interact. energy: -3.118 local terms energy: -418.517394 where: bonds (distance) C4'-P energy: -77.833 bonds (distance) P-C4' energy: -86.243 flat angles C4'-P-C4' energy: -83.446 flat angles P-C4'-P energy: -59.907 tors. eta vs tors. theta energy: -111.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1358.333969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.333969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.333969 (E_RNA) where: Base-Base interactions energy: -943.233 where: short stacking energy: -403.386 Base-Backbone interact. energy: -1.004 local terms energy: -414.096683 where: bonds (distance) C4'-P energy: -78.118 bonds (distance) P-C4' energy: -74.248 flat angles C4'-P-C4' energy: -82.513 flat angles P-C4'-P energy: -61.339 tors. eta vs tors. theta energy: -117.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1287.546275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.546275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.546275 (E_RNA) where: Base-Base interactions energy: -891.410 where: short stacking energy: -381.581 Base-Backbone interact. energy: -0.878 local terms energy: -395.258697 where: bonds (distance) C4'-P energy: -71.915 bonds (distance) P-C4' energy: -74.200 flat angles C4'-P-C4' energy: -81.548 flat angles P-C4'-P energy: -44.014 tors. eta vs tors. theta energy: -123.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1212.459768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.459768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.459768 (E_RNA) where: Base-Base interactions energy: -804.703 where: short stacking energy: -348.670 Base-Backbone interact. energy: -1.275 local terms energy: -406.481957 where: bonds (distance) C4'-P energy: -72.861 bonds (distance) P-C4' energy: -81.686 flat angles C4'-P-C4' energy: -77.352 flat angles P-C4'-P energy: -60.841 tors. eta vs tors. theta energy: -113.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1192.297828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.297828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.297828 (E_RNA) where: Base-Base interactions energy: -803.697 where: short stacking energy: -343.618 Base-Backbone interact. energy: -1.727 local terms energy: -386.873485 where: bonds (distance) C4'-P energy: -78.146 bonds (distance) P-C4' energy: -74.574 flat angles C4'-P-C4' energy: -79.181 flat angles P-C4'-P energy: -55.632 tors. eta vs tors. theta energy: -99.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1042.793182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.793182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.793182 (E_RNA) where: Base-Base interactions energy: -703.283 where: short stacking energy: -309.303 Base-Backbone interact. energy: -1.022 local terms energy: -338.488038 where: bonds (distance) C4'-P energy: -70.327 bonds (distance) P-C4' energy: -75.480 flat angles C4'-P-C4' energy: -78.127 flat angles P-C4'-P energy: -47.386 tors. eta vs tors. theta energy: -67.169 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: 9 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -907.505578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.505578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.505578 (E_RNA) where: Base-Base interactions energy: -590.960 where: short stacking energy: -249.932 Base-Backbone interact. energy: -0.007 local terms energy: -316.538721 where: bonds (distance) C4'-P energy: -68.809 bonds (distance) P-C4' energy: -64.977 flat angles C4'-P-C4' energy: -75.203 flat angles P-C4'-P energy: -45.385 tors. eta vs tors. theta energy: -62.165 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: 183 Temperature: 1.250000 Total energy: -776.302938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.302938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.302938 (E_RNA) where: Base-Base interactions energy: -473.496 where: short stacking energy: -226.403 Base-Backbone interact. energy: 1.417 local terms energy: -304.223913 where: bonds (distance) C4'-P energy: -56.513 bonds (distance) P-C4' energy: -73.840 flat angles C4'-P-C4' energy: -78.028 flat angles P-C4'-P energy: -42.438 tors. eta vs tors. theta energy: -53.406 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: 5 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -520.659365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.659365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.659365 (E_RNA) where: Base-Base interactions energy: -283.371 where: short stacking energy: -151.426 Base-Backbone interact. energy: 2.559 local terms energy: -239.846945 where: bonds (distance) C4'-P energy: -75.992 bonds (distance) P-C4' energy: -64.319 flat angles C4'-P-C4' energy: -50.939 flat angles P-C4'-P energy: -36.613 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: 1 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -353.070090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.070090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.070090 (E_RNA) where: Base-Base interactions energy: -146.779 where: short stacking energy: -146.174 Base-Backbone interact. energy: 4.805 local terms energy: -211.096100 where: bonds (distance) C4'-P energy: -58.365 bonds (distance) P-C4' energy: -52.540 flat angles C4'-P-C4' energy: -52.125 flat angles P-C4'-P energy: -42.963 tors. eta vs tors. theta energy: -5.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1364.931347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.931347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.931347 (E_RNA) where: Base-Base interactions energy: -952.523 where: short stacking energy: -418.699 Base-Backbone interact. energy: -1.680 local terms energy: -410.728755 where: bonds (distance) C4'-P energy: -78.383 bonds (distance) P-C4' energy: -80.963 flat angles C4'-P-C4' energy: -85.417 flat angles P-C4'-P energy: -50.668 tors. eta vs tors. theta energy: -115.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1319.091286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.091286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.091286 (E_RNA) where: Base-Base interactions energy: -902.652 where: short stacking energy: -386.628 Base-Backbone interact. energy: 0.935 local terms energy: -417.373952 where: bonds (distance) C4'-P energy: -73.215 bonds (distance) P-C4' energy: -81.314 flat angles C4'-P-C4' energy: -85.545 flat angles P-C4'-P energy: -61.755 tors. eta vs tors. theta energy: -115.545 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: 3, replica: 2 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1314.725467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.725467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.725467 (E_RNA) where: Base-Base interactions energy: -899.581 where: short stacking energy: -401.557 Base-Backbone interact. energy: -0.604 local terms energy: -414.540139 where: bonds (distance) C4'-P energy: -60.705 bonds (distance) P-C4' energy: -81.287 flat angles C4'-P-C4' energy: -93.885 flat angles P-C4'-P energy: -57.323 tors. eta vs tors. theta energy: -121.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1244.102001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.102001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.102001 (E_RNA) where: Base-Base interactions energy: -838.011 where: short stacking energy: -365.051 Base-Backbone interact. energy: -0.411 local terms energy: -405.679581 where: bonds (distance) C4'-P energy: -75.689 bonds (distance) P-C4' energy: -73.995 flat angles C4'-P-C4' energy: -84.800 flat angles P-C4'-P energy: -56.514 tors. eta vs tors. theta energy: -114.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1203.948614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.948614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.948614 (E_RNA) where: Base-Base interactions energy: -811.175 where: short stacking energy: -367.210 Base-Backbone interact. energy: -2.282 local terms energy: -390.490935 where: bonds (distance) C4'-P energy: -71.040 bonds (distance) P-C4' energy: -61.580 flat angles C4'-P-C4' energy: -95.432 flat angles P-C4'-P energy: -61.551 tors. eta vs tors. theta energy: -100.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1041.059714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.059714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.059714 (E_RNA) where: Base-Base interactions energy: -688.701 where: short stacking energy: -309.380 Base-Backbone interact. energy: -0.924 local terms energy: -351.434117 where: bonds (distance) C4'-P energy: -70.118 bonds (distance) P-C4' energy: -74.464 flat angles C4'-P-C4' energy: -73.597 flat angles P-C4'-P energy: -55.941 tors. eta vs tors. theta energy: -77.314 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: 184 Temperature: 1.200000 Total energy: -956.415145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.415145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.415145 (E_RNA) where: Base-Base interactions energy: -644.708 where: short stacking energy: -287.090 Base-Backbone interact. energy: -1.099 local terms energy: -310.608686 where: bonds (distance) C4'-P energy: -65.612 bonds (distance) P-C4' energy: -58.258 flat angles C4'-P-C4' energy: -72.449 flat angles P-C4'-P energy: -38.409 tors. eta vs tors. theta energy: -75.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -806.293354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.293354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.293354 (E_RNA) where: Base-Base interactions energy: -532.598 where: short stacking energy: -238.486 Base-Backbone interact. energy: -1.009 local terms energy: -272.687046 where: bonds (distance) C4'-P energy: -57.572 bonds (distance) P-C4' energy: -62.642 flat angles C4'-P-C4' energy: -67.812 flat angles P-C4'-P energy: -36.626 tors. eta vs tors. theta energy: -48.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -486.679363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.679363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.679363 (E_RNA) where: Base-Base interactions energy: -248.045 where: short stacking energy: -115.560 Base-Backbone interact. energy: 0.820 local terms energy: -239.454390 where: bonds (distance) C4'-P energy: -60.304 bonds (distance) P-C4' energy: -71.246 flat angles C4'-P-C4' energy: -68.304 flat angles P-C4'-P energy: -38.405 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: 10, replica: 1 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -304.112404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.112404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.112404 (E_RNA) where: Base-Base interactions energy: -134.738 where: short stacking energy: -114.300 Base-Backbone interact. energy: 11.010 local terms energy: -180.384141 where: bonds (distance) C4'-P energy: -48.566 bonds (distance) P-C4' energy: -67.233 flat angles C4'-P-C4' energy: -50.946 flat angles P-C4'-P energy: -27.466 tors. eta vs tors. theta energy: 13.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1340.834559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.834559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.834559 (E_RNA) where: Base-Base interactions energy: -928.269 where: short stacking energy: -395.884 Base-Backbone interact. energy: -1.729 local terms energy: -410.836894 where: bonds (distance) C4'-P energy: -76.007 bonds (distance) P-C4' energy: -74.613 flat angles C4'-P-C4' energy: -91.029 flat angles P-C4'-P energy: -56.563 tors. eta vs tors. theta energy: -112.625 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: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1327.415619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.415619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.415619 (E_RNA) where: Base-Base interactions energy: -909.932 where: short stacking energy: -396.196 Base-Backbone interact. energy: -2.383 local terms energy: -415.100293 where: bonds (distance) C4'-P energy: -78.086 bonds (distance) P-C4' energy: -79.233 flat angles C4'-P-C4' energy: -90.849 flat angles P-C4'-P energy: -59.545 tors. eta vs tors. theta energy: -107.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1307.203966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.203966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.203966 (E_RNA) where: Base-Base interactions energy: -883.402 where: short stacking energy: -393.217 Base-Backbone interact. energy: -3.590 local terms energy: -420.211828 where: bonds (distance) C4'-P energy: -74.148 bonds (distance) P-C4' energy: -79.930 flat angles C4'-P-C4' energy: -92.063 flat angles P-C4'-P energy: -50.513 tors. eta vs tors. theta energy: -123.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1239.558056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.558056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.558056 (E_RNA) where: Base-Base interactions energy: -854.506 where: short stacking energy: -385.480 Base-Backbone interact. energy: -0.783 local terms energy: -384.268889 where: bonds (distance) C4'-P energy: -68.191 bonds (distance) P-C4' energy: -73.870 flat angles C4'-P-C4' energy: -78.123 flat angles P-C4'-P energy: -47.916 tors. eta vs tors. theta energy: -116.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1201.733272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.733272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.733272 (E_RNA) where: Base-Base interactions energy: -825.171 where: short stacking energy: -349.358 Base-Backbone interact. energy: 0.489 local terms energy: -377.051047 where: bonds (distance) C4'-P energy: -80.914 bonds (distance) P-C4' energy: -69.003 flat angles C4'-P-C4' energy: -78.595 flat angles P-C4'-P energy: -49.432 tors. eta vs tors. theta energy: -99.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1019.075108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.075108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.075108 (E_RNA) where: Base-Base interactions energy: -686.131 where: short stacking energy: -309.373 Base-Backbone interact. energy: 0.260 local terms energy: -333.203699 where: bonds (distance) C4'-P energy: -67.507 bonds (distance) P-C4' energy: -66.175 flat angles C4'-P-C4' energy: -75.363 flat angles P-C4'-P energy: -54.407 tors. eta vs tors. theta energy: -69.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1046.469414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.469414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.469414 (E_RNA) where: Base-Base interactions energy: -688.397 where: short stacking energy: -304.466 Base-Backbone interact. energy: -2.019 local terms energy: -356.053782 where: bonds (distance) C4'-P energy: -65.283 bonds (distance) P-C4' energy: -77.524 flat angles C4'-P-C4' energy: -69.797 flat angles P-C4'-P energy: -56.838 tors. eta vs tors. theta energy: -86.612 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: 10 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -797.946953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.946953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.946953 (E_RNA) where: Base-Base interactions energy: -518.598 where: short stacking energy: -256.872 Base-Backbone interact. energy: -0.140 local terms energy: -279.209388 where: bonds (distance) C4'-P energy: -54.734 bonds (distance) P-C4' energy: -60.634 flat angles C4'-P-C4' energy: -76.182 flat angles P-C4'-P energy: -33.892 tors. eta vs tors. theta energy: -53.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -491.367618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.367618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.367618 (E_RNA) where: Base-Base interactions energy: -251.022 where: short stacking energy: -135.213 Base-Backbone interact. energy: -1.707 local terms energy: -238.638688 where: bonds (distance) C4'-P energy: -64.062 bonds (distance) P-C4' energy: -67.068 flat angles C4'-P-C4' energy: -71.480 flat angles P-C4'-P energy: -27.647 tors. eta vs tors. theta energy: -8.383 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: 185 Temperature: 1.350000 Total energy: -350.788216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.788216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.788216 (E_RNA) where: Base-Base interactions energy: -158.197 where: short stacking energy: -116.081 Base-Backbone interact. energy: 1.422 local terms energy: -194.013144 where: bonds (distance) C4'-P energy: -56.377 bonds (distance) P-C4' energy: -74.489 flat angles C4'-P-C4' energy: -52.980 flat angles P-C4'-P energy: -16.798 tors. eta vs tors. theta energy: 6.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1353.571753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.571753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.571753 (E_RNA) where: Base-Base interactions energy: -959.716 where: short stacking energy: -390.918 Base-Backbone interact. energy: -0.656 local terms energy: -393.199538 where: bonds (distance) C4'-P energy: -67.007 bonds (distance) P-C4' energy: -72.441 flat angles C4'-P-C4' energy: -82.701 flat angles P-C4'-P energy: -60.917 tors. eta vs tors. theta energy: -110.134 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: 2, replica: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1336.250269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.250269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.250269 (E_RNA) where: Base-Base interactions energy: -903.186 where: short stacking energy: -401.567 Base-Backbone interact. energy: -0.553 local terms energy: -432.510755 where: bonds (distance) C4'-P energy: -75.722 bonds (distance) P-C4' energy: -82.361 flat angles C4'-P-C4' energy: -87.818 flat angles P-C4'-P energy: -68.469 tors. eta vs tors. theta energy: -118.141 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: 3, replica: 2 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1289.351334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.351334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.351334 (E_RNA) where: Base-Base interactions energy: -884.847 where: short stacking energy: -377.692 Base-Backbone interact. energy: -1.744 local terms energy: -402.760533 where: bonds (distance) C4'-P energy: -66.864 bonds (distance) P-C4' energy: -77.828 flat angles C4'-P-C4' energy: -85.954 flat angles P-C4'-P energy: -53.731 tors. eta vs tors. theta energy: -118.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1229.503103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.503103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.503103 (E_RNA) where: Base-Base interactions energy: -821.688 where: short stacking energy: -372.004 Base-Backbone interact. energy: -2.349 local terms energy: -405.465461 where: bonds (distance) C4'-P energy: -78.697 bonds (distance) P-C4' energy: -77.657 flat angles C4'-P-C4' energy: -77.340 flat angles P-C4'-P energy: -66.012 tors. eta vs tors. theta energy: -105.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1192.909449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.909449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.909449 (E_RNA) where: Base-Base interactions energy: -828.415 where: short stacking energy: -343.166 Base-Backbone interact. energy: -2.479 local terms energy: -362.015956 where: bonds (distance) C4'-P energy: -61.269 bonds (distance) P-C4' energy: -66.071 flat angles C4'-P-C4' energy: -83.321 flat angles P-C4'-P energy: -44.053 tors. eta vs tors. theta energy: -107.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1026.033393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.033393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.033393 (E_RNA) where: Base-Base interactions energy: -718.376 where: short stacking energy: -299.249 Base-Backbone interact. energy: -2.030 local terms energy: -305.627913 where: bonds (distance) C4'-P energy: -46.118 bonds (distance) P-C4' energy: -65.845 flat angles C4'-P-C4' energy: -63.758 flat angles P-C4'-P energy: -50.001 tors. eta vs tors. theta energy: -79.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -990.341216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.341216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.341216 (E_RNA) where: Base-Base interactions energy: -670.751 where: short stacking energy: -296.141 Base-Backbone interact. energy: 0.255 local terms energy: -319.845267 where: bonds (distance) C4'-P energy: -59.707 bonds (distance) P-C4' energy: -65.895 flat angles C4'-P-C4' energy: -70.879 flat angles P-C4'-P energy: -48.128 tors. eta vs tors. theta energy: -75.236 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: 10 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -801.049580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.049580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.049580 (E_RNA) where: Base-Base interactions energy: -484.976 where: short stacking energy: -245.154 Base-Backbone interact. energy: 1.286 local terms energy: -317.359651 where: bonds (distance) C4'-P energy: -65.329 bonds (distance) P-C4' energy: -72.300 flat angles C4'-P-C4' energy: -71.500 flat angles P-C4'-P energy: -41.500 tors. eta vs tors. theta energy: -66.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -441.524521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.524521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.524521 (E_RNA) where: Base-Base interactions energy: -218.036 where: short stacking energy: -124.642 Base-Backbone interact. energy: -1.894 local terms energy: -221.594053 where: bonds (distance) C4'-P energy: -59.363 bonds (distance) P-C4' energy: -66.322 flat angles C4'-P-C4' energy: -63.058 flat angles P-C4'-P energy: -34.429 tors. eta vs tors. theta energy: 1.578 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: 1 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -357.211805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.211805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.211805 (E_RNA) where: Base-Base interactions energy: -141.704 where: short stacking energy: -103.451 Base-Backbone interact. energy: -1.027 local terms energy: -214.480358 where: bonds (distance) C4'-P energy: -57.487 bonds (distance) P-C4' energy: -70.707 flat angles C4'-P-C4' energy: -51.959 flat angles P-C4'-P energy: -40.452 tors. eta vs tors. theta energy: 6.124 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: 8 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1380.432560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.432560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.432560 (E_RNA) where: Base-Base interactions energy: -979.500 where: short stacking energy: -398.421 Base-Backbone interact. energy: -1.318 local terms energy: -399.614537 where: bonds (distance) C4'-P energy: -74.572 bonds (distance) P-C4' energy: -75.808 flat angles C4'-P-C4' energy: -85.368 flat angles P-C4'-P energy: -50.642 tors. eta vs tors. theta energy: -113.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1333.469024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.469024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.469024 (E_RNA) where: Base-Base interactions energy: -904.532 where: short stacking energy: -397.259 Base-Backbone interact. energy: -2.585 local terms energy: -426.352055 where: bonds (distance) C4'-P energy: -81.287 bonds (distance) P-C4' energy: -75.608 flat angles C4'-P-C4' energy: -92.699 flat angles P-C4'-P energy: -61.260 tors. eta vs tors. theta energy: -115.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1289.223570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.223570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.223570 (E_RNA) where: Base-Base interactions energy: -894.713 where: short stacking energy: -392.704 Base-Backbone interact. energy: -2.999 local terms energy: -391.511554 where: bonds (distance) C4'-P energy: -66.831 bonds (distance) P-C4' energy: -67.648 flat angles C4'-P-C4' energy: -92.546 flat angles P-C4'-P energy: -54.026 tors. eta vs tors. theta energy: -110.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1237.717827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.717827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.717827 (E_RNA) where: Base-Base interactions energy: -834.418 where: short stacking energy: -373.478 Base-Backbone interact. energy: 0.026 local terms energy: -403.325001 where: bonds (distance) C4'-P energy: -74.800 bonds (distance) P-C4' energy: -79.140 flat angles C4'-P-C4' energy: -87.987 flat angles P-C4'-P energy: -54.198 tors. eta vs tors. theta energy: -107.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1187.556993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.556993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.556993 (E_RNA) where: Base-Base interactions energy: -815.526 where: short stacking energy: -362.984 Base-Backbone interact. energy: -1.865 local terms energy: -370.165840 where: bonds (distance) C4'-P energy: -62.135 bonds (distance) P-C4' energy: -66.600 flat angles C4'-P-C4' energy: -87.423 flat angles P-C4'-P energy: -52.373 tors. eta vs tors. theta energy: -101.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1022.266827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.266827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.266827 (E_RNA) where: Base-Base interactions energy: -702.520 where: short stacking energy: -292.941 Base-Backbone interact. energy: -2.152 local terms energy: -317.594412 where: bonds (distance) C4'-P energy: -59.464 bonds (distance) P-C4' energy: -67.584 flat angles C4'-P-C4' energy: -67.246 flat angles P-C4'-P energy: -45.098 tors. eta vs tors. theta energy: -78.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1004.541046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.541046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.541046 (E_RNA) where: Base-Base interactions energy: -655.489 where: short stacking energy: -293.287 Base-Backbone interact. energy: -0.641 local terms energy: -348.410946 where: bonds (distance) C4'-P energy: -65.889 bonds (distance) P-C4' energy: -72.438 flat angles C4'-P-C4' energy: -79.373 flat angles P-C4'-P energy: -50.242 tors. eta vs tors. theta energy: -80.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -843.611806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.611806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.611806 (E_RNA) where: Base-Base interactions energy: -547.314 where: short stacking energy: -238.842 Base-Backbone interact. energy: 0.119 local terms energy: -296.416298 where: bonds (distance) C4'-P energy: -50.989 bonds (distance) P-C4' energy: -66.867 flat angles C4'-P-C4' energy: -73.012 flat angles P-C4'-P energy: -52.023 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: 9, replica: 5 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -474.849267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.849267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.849267 (E_RNA) where: Base-Base interactions energy: -253.804 where: short stacking energy: -146.432 Base-Backbone interact. energy: 1.315 local terms energy: -222.360095 where: bonds (distance) C4'-P energy: -62.734 bonds (distance) P-C4' energy: -61.957 flat angles C4'-P-C4' energy: -50.576 flat angles P-C4'-P energy: -32.046 tors. eta vs tors. theta energy: -15.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -390.287572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.287572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.287572 (E_RNA) where: Base-Base interactions energy: -172.193 where: short stacking energy: -119.178 Base-Backbone interact. energy: 3.950 local terms energy: -222.045054 where: bonds (distance) C4'-P energy: -60.465 bonds (distance) P-C4' energy: -70.733 flat angles C4'-P-C4' energy: -47.450 flat angles P-C4'-P energy: -34.885 tors. eta vs tors. theta energy: -8.513 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: 8 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1370.428096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.428096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.428096 (E_RNA) where: Base-Base interactions energy: -950.357 where: short stacking energy: -383.349 Base-Backbone interact. energy: -1.881 local terms energy: -418.190115 where: bonds (distance) C4'-P energy: -77.171 bonds (distance) P-C4' energy: -79.103 flat angles C4'-P-C4' energy: -86.003 flat angles P-C4'-P energy: -55.974 tors. eta vs tors. theta energy: -119.939 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: 3 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1302.610200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.610200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.610200 (E_RNA) where: Base-Base interactions energy: -892.438 where: short stacking energy: -388.137 Base-Backbone interact. energy: -1.115 local terms energy: -409.057397 where: bonds (distance) C4'-P energy: -74.359 bonds (distance) P-C4' energy: -83.104 flat angles C4'-P-C4' energy: -86.337 flat angles P-C4'-P energy: -57.488 tors. eta vs tors. theta energy: -107.769 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: 188 Temperature: 1.000000 Total energy: -1286.795463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.795463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.795463 (E_RNA) where: Base-Base interactions energy: -893.703 where: short stacking energy: -387.967 Base-Backbone interact. energy: -1.123 local terms energy: -391.969396 where: bonds (distance) C4'-P energy: -70.246 bonds (distance) P-C4' energy: -70.263 flat angles C4'-P-C4' energy: -85.472 flat angles P-C4'-P energy: -52.415 tors. eta vs tors. theta energy: -113.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1212.030274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.030274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.030274 (E_RNA) where: Base-Base interactions energy: -831.277 where: short stacking energy: -357.548 Base-Backbone interact. energy: -1.028 local terms energy: -379.724742 where: bonds (distance) C4'-P energy: -65.276 bonds (distance) P-C4' energy: -73.447 flat angles C4'-P-C4' energy: -76.950 flat angles P-C4'-P energy: -54.602 tors. eta vs tors. theta energy: -109.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1215.766396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.766396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.766396 (E_RNA) where: Base-Base interactions energy: -833.366 where: short stacking energy: -377.467 Base-Backbone interact. energy: 2.852 local terms energy: -385.253143 where: bonds (distance) C4'-P energy: -65.968 bonds (distance) P-C4' energy: -79.803 flat angles C4'-P-C4' energy: -87.394 flat angles P-C4'-P energy: -39.892 tors. eta vs tors. theta energy: -112.196 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: 6, replica: 9 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1038.060496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.060496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.060496 (E_RNA) where: Base-Base interactions energy: -679.287 where: short stacking energy: -331.032 Base-Backbone interact. energy: 0.219 local terms energy: -358.992440 where: bonds (distance) C4'-P energy: -71.547 bonds (distance) P-C4' energy: -72.271 flat angles C4'-P-C4' energy: -83.085 flat angles P-C4'-P energy: -45.975 tors. eta vs tors. theta energy: -86.114 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: 6 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1005.514513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.514513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.514513 (E_RNA) where: Base-Base interactions energy: -670.322 where: short stacking energy: -320.388 Base-Backbone interact. energy: 0.298 local terms energy: -335.490824 where: bonds (distance) C4'-P energy: -67.446 bonds (distance) P-C4' energy: -72.924 flat angles C4'-P-C4' energy: -70.752 flat angles P-C4'-P energy: -45.475 tors. eta vs tors. theta energy: -78.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -785.411106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.411106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.411106 (E_RNA) where: Base-Base interactions energy: -503.253 where: short stacking energy: -220.664 Base-Backbone interact. energy: -2.554 local terms energy: -279.604122 where: bonds (distance) C4'-P energy: -79.480 bonds (distance) P-C4' energy: -48.346 flat angles C4'-P-C4' energy: -60.821 flat angles P-C4'-P energy: -42.067 tors. eta vs tors. theta energy: -48.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -429.818782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.818782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.818782 (E_RNA) where: Base-Base interactions energy: -209.077 where: short stacking energy: -126.015 Base-Backbone interact. energy: 2.968 local terms energy: -223.710033 where: bonds (distance) C4'-P energy: -57.999 bonds (distance) P-C4' energy: -66.143 flat angles C4'-P-C4' energy: -57.583 flat angles P-C4'-P energy: -32.444 tors. eta vs tors. theta energy: -9.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -323.740894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.740894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.740894 (E_RNA) where: Base-Base interactions energy: -120.763 where: short stacking energy: -97.456 Base-Backbone interact. energy: 0.625 local terms energy: -203.602785 where: bonds (distance) C4'-P energy: -70.123 bonds (distance) P-C4' energy: -67.203 flat angles C4'-P-C4' energy: -33.607 flat angles P-C4'-P energy: -39.261 tors. eta vs tors. theta energy: 6.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1382.281763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.281763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.281763 (E_RNA) where: Base-Base interactions energy: -972.553 where: short stacking energy: -393.687 Base-Backbone interact. energy: -3.190 local terms energy: -406.538755 where: bonds (distance) C4'-P energy: -73.288 bonds (distance) P-C4' energy: -69.919 flat angles C4'-P-C4' energy: -88.973 flat angles P-C4'-P energy: -58.061 tors. eta vs tors. theta energy: -116.298 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: 4 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1298.695186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.695186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.695186 (E_RNA) where: Base-Base interactions energy: -899.423 where: short stacking energy: -398.627 Base-Backbone interact. energy: -2.193 local terms energy: -397.078565 where: bonds (distance) C4'-P energy: -65.871 bonds (distance) P-C4' energy: -83.682 flat angles C4'-P-C4' energy: -80.843 flat angles P-C4'-P energy: -52.593 tors. eta vs tors. theta energy: -114.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1285.738496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.738496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.738496 (E_RNA) where: Base-Base interactions energy: -881.134 where: short stacking energy: -375.045 Base-Backbone interact. energy: -1.514 local terms energy: -403.090713 where: bonds (distance) C4'-P energy: -74.529 bonds (distance) P-C4' energy: -71.141 flat angles C4'-P-C4' energy: -90.108 flat angles P-C4'-P energy: -55.006 tors. eta vs tors. theta energy: -112.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1232.405140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.405140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.405140 (E_RNA) where: Base-Base interactions energy: -832.421 where: short stacking energy: -372.052 Base-Backbone interact. energy: -2.810 local terms energy: -397.173323 where: bonds (distance) C4'-P energy: -70.133 bonds (distance) P-C4' energy: -71.394 flat angles C4'-P-C4' energy: -91.305 flat angles P-C4'-P energy: -44.004 tors. eta vs tors. theta energy: -120.336 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: 189 Temperature: 1.100000 Total energy: -1179.023954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.023954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.023954 (E_RNA) where: Base-Base interactions energy: -784.804 where: short stacking energy: -353.562 Base-Backbone interact. energy: -0.819 local terms energy: -393.400592 where: bonds (distance) C4'-P energy: -76.309 bonds (distance) P-C4' energy: -72.241 flat angles C4'-P-C4' energy: -83.616 flat angles P-C4'-P energy: -62.821 tors. eta vs tors. theta energy: -98.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1055.099729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.099729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.099729 (E_RNA) where: Base-Base interactions energy: -718.702 where: short stacking energy: -323.756 Base-Backbone interact. energy: -1.746 local terms energy: -334.651543 where: bonds (distance) C4'-P energy: -55.320 bonds (distance) P-C4' energy: -75.618 flat angles C4'-P-C4' energy: -76.544 flat angles P-C4'-P energy: -39.942 tors. eta vs tors. theta energy: -87.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1046.247343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.247343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.247343 (E_RNA) where: Base-Base interactions energy: -710.545 where: short stacking energy: -336.761 Base-Backbone interact. energy: -1.162 local terms energy: -334.539969 where: bonds (distance) C4'-P energy: -66.750 bonds (distance) P-C4' energy: -52.891 flat angles C4'-P-C4' energy: -82.860 flat angles P-C4'-P energy: -44.904 tors. eta vs tors. theta energy: -87.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -842.231278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.231278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.231278 (E_RNA) where: Base-Base interactions energy: -549.026 where: short stacking energy: -244.769 Base-Backbone interact. energy: 2.492 local terms energy: -295.697884 where: bonds (distance) C4'-P energy: -73.135 bonds (distance) P-C4' energy: -63.928 flat angles C4'-P-C4' energy: -68.022 flat angles P-C4'-P energy: -37.200 tors. eta vs tors. theta energy: -53.413 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: 5 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -359.353897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.353897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.353897 (E_RNA) where: Base-Base interactions energy: -139.016 where: short stacking energy: -105.155 Base-Backbone interact. energy: -0.313 local terms energy: -220.024980 where: bonds (distance) C4'-P energy: -68.003 bonds (distance) P-C4' energy: -65.288 flat angles C4'-P-C4' energy: -63.171 flat angles P-C4'-P energy: -21.536 tors. eta vs tors. theta energy: -2.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -313.489509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.489509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.489509 (E_RNA) where: Base-Base interactions energy: -104.461 where: short stacking energy: -87.611 Base-Backbone interact. energy: 7.915 local terms energy: -216.943278 where: bonds (distance) C4'-P energy: -72.281 bonds (distance) P-C4' energy: -62.692 flat angles C4'-P-C4' energy: -57.899 flat angles P-C4'-P energy: -36.376 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: 1, replica: 8 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1355.997388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.997388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.997388 (E_RNA) where: Base-Base interactions energy: -951.555 where: short stacking energy: -383.584 Base-Backbone interact. energy: -1.588 local terms energy: -402.853731 where: bonds (distance) C4'-P energy: -69.726 bonds (distance) P-C4' energy: -77.088 flat angles C4'-P-C4' energy: -89.294 flat angles P-C4'-P energy: -60.182 tors. eta vs tors. theta energy: -106.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1311.726101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.726101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.726101 (E_RNA) where: Base-Base interactions energy: -893.212 where: short stacking energy: -377.005 Base-Backbone interact. energy: 0.152 local terms energy: -418.666153 where: bonds (distance) C4'-P energy: -79.229 bonds (distance) P-C4' energy: -75.734 flat angles C4'-P-C4' energy: -83.484 flat angles P-C4'-P energy: -60.588 tors. eta vs tors. theta energy: -119.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1313.361304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.361304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.361304 (E_RNA) where: Base-Base interactions energy: -898.454 where: short stacking energy: -384.140 Base-Backbone interact. energy: -1.395 local terms energy: -413.511810 where: bonds (distance) C4'-P energy: -82.085 bonds (distance) P-C4' energy: -77.357 flat angles C4'-P-C4' energy: -77.513 flat angles P-C4'-P energy: -63.518 tors. eta vs tors. theta energy: -113.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1210.567001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.567001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.567001 (E_RNA) where: Base-Base interactions energy: -812.706 where: short stacking energy: -341.511 Base-Backbone interact. energy: -0.322 local terms energy: -397.539078 where: bonds (distance) C4'-P energy: -72.131 bonds (distance) P-C4' energy: -87.311 flat angles C4'-P-C4' energy: -79.362 flat angles P-C4'-P energy: -50.856 tors. eta vs tors. theta energy: -107.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1169.863424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.863424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.863424 (E_RNA) where: Base-Base interactions energy: -796.503 where: short stacking energy: -343.949 Base-Backbone interact. energy: -0.724 local terms energy: -372.636491 where: bonds (distance) C4'-P energy: -64.233 bonds (distance) P-C4' energy: -74.031 flat angles C4'-P-C4' energy: -82.686 flat angles P-C4'-P energy: -49.454 tors. eta vs tors. theta energy: -102.233 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: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1052.864543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.864543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.864543 (E_RNA) where: Base-Base interactions energy: -709.135 where: short stacking energy: -313.812 Base-Backbone interact. energy: -1.892 local terms energy: -341.837777 where: bonds (distance) C4'-P energy: -52.041 bonds (distance) P-C4' energy: -83.456 flat angles C4'-P-C4' energy: -74.880 flat angles P-C4'-P energy: -47.622 tors. eta vs tors. theta energy: -83.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -987.868042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.868042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.868042 (E_RNA) where: Base-Base interactions energy: -669.131 where: short stacking energy: -300.576 Base-Backbone interact. energy: -2.163 local terms energy: -316.573679 where: bonds (distance) C4'-P energy: -56.135 bonds (distance) P-C4' energy: -61.968 flat angles C4'-P-C4' energy: -82.657 flat angles P-C4'-P energy: -38.258 tors. eta vs tors. theta energy: -77.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -840.946802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.946802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.946802 (E_RNA) where: Base-Base interactions energy: -549.650 where: short stacking energy: -240.407 Base-Backbone interact. energy: -1.078 local terms energy: -290.218738 where: bonds (distance) C4'-P energy: -58.570 bonds (distance) P-C4' energy: -79.293 flat angles C4'-P-C4' energy: -59.669 flat angles P-C4'-P energy: -39.596 tors. eta vs tors. theta energy: -53.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -345.406579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.406579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.406579 (E_RNA) where: Base-Base interactions energy: -140.713 where: short stacking energy: -121.728 Base-Backbone interact. energy: -0.492 local terms energy: -204.202297 where: bonds (distance) C4'-P energy: -68.699 bonds (distance) P-C4' energy: -56.491 flat angles C4'-P-C4' energy: -44.256 flat angles P-C4'-P energy: -36.248 tors. eta vs tors. theta energy: 1.492 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: 10, replica: 1 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -332.999453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.999453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.999453 (E_RNA) where: Base-Base interactions energy: -135.705 where: short stacking energy: -99.699 Base-Backbone interact. energy: -0.612 local terms energy: -196.682474 where: bonds (distance) C4'-P energy: -59.552 bonds (distance) P-C4' energy: -64.186 flat angles C4'-P-C4' energy: -45.193 flat angles P-C4'-P energy: -39.313 tors. eta vs tors. theta energy: 11.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1374.901710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.901710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.901710 (E_RNA) where: Base-Base interactions energy: -935.576 where: short stacking energy: -385.569 Base-Backbone interact. energy: -2.380 local terms energy: -436.945563 where: bonds (distance) C4'-P energy: -85.606 bonds (distance) P-C4' energy: -82.035 flat angles C4'-P-C4' energy: -87.806 flat angles P-C4'-P energy: -68.488 tors. eta vs tors. theta energy: -113.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1306.463762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.463762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.463762 (E_RNA) where: Base-Base interactions energy: -891.016 where: short stacking energy: -400.505 Base-Backbone interact. energy: -2.204 local terms energy: -413.243637 where: bonds (distance) C4'-P energy: -80.471 bonds (distance) P-C4' energy: -81.212 flat angles C4'-P-C4' energy: -82.317 flat angles P-C4'-P energy: -57.416 tors. eta vs tors. theta energy: -111.829 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: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1302.539843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.539843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.539843 (E_RNA) where: Base-Base interactions energy: -913.563 where: short stacking energy: -397.352 Base-Backbone interact. energy: -0.660 local terms energy: -388.316597 where: bonds (distance) C4'-P energy: -81.237 bonds (distance) P-C4' energy: -73.233 flat angles C4'-P-C4' energy: -80.705 flat angles P-C4'-P energy: -45.793 tors. eta vs tors. theta energy: -107.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1169.263966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.263966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.263966 (E_RNA) where: Base-Base interactions energy: -791.808 where: short stacking energy: -360.259 Base-Backbone interact. energy: -1.700 local terms energy: -375.756694 where: bonds (distance) C4'-P energy: -69.365 bonds (distance) P-C4' energy: -73.490 flat angles C4'-P-C4' energy: -86.369 flat angles P-C4'-P energy: -47.822 tors. eta vs tors. theta energy: -98.710 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: 5, replica: 7 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1179.670887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.670887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.670887 (E_RNA) where: Base-Base interactions energy: -798.672 where: short stacking energy: -347.187 Base-Backbone interact. energy: -0.805 local terms energy: -380.193530 where: bonds (distance) C4'-P energy: -71.356 bonds (distance) P-C4' energy: -76.755 flat angles C4'-P-C4' energy: -74.111 flat angles P-C4'-P energy: -46.157 tors. eta vs tors. theta energy: -111.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1024.353223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.353223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.353223 (E_RNA) where: Base-Base interactions energy: -669.367 where: short stacking energy: -312.384 Base-Backbone interact. energy: -1.404 local terms energy: -353.583043 where: bonds (distance) C4'-P energy: -76.105 bonds (distance) P-C4' energy: -75.898 flat angles C4'-P-C4' energy: -78.704 flat angles P-C4'-P energy: -37.914 tors. eta vs tors. theta energy: -84.962 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: 6 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -998.392667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.392667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.392667 (E_RNA) where: Base-Base interactions energy: -669.636 where: short stacking energy: -293.376 Base-Backbone interact. energy: -1.727 local terms energy: -327.029263 where: bonds (distance) C4'-P energy: -69.141 bonds (distance) P-C4' energy: -65.237 flat angles C4'-P-C4' energy: -75.057 flat angles P-C4'-P energy: -47.120 tors. eta vs tors. theta energy: -70.474 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: 10 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -856.679514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.679514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.679514 (E_RNA) where: Base-Base interactions energy: -551.129 where: short stacking energy: -236.092 Base-Backbone interact. energy: -1.406 local terms energy: -304.144657 where: bonds (distance) C4'-P energy: -70.139 bonds (distance) P-C4' energy: -71.033 flat angles C4'-P-C4' energy: -66.791 flat angles P-C4'-P energy: -48.046 tors. eta vs tors. theta energy: -48.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -344.873954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.873954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.873954 (E_RNA) where: Base-Base interactions energy: -128.550 where: short stacking energy: -97.908 Base-Backbone interact. energy: -1.213 local terms energy: -215.110853 where: bonds (distance) C4'-P energy: -70.598 bonds (distance) P-C4' energy: -63.325 flat angles C4'-P-C4' energy: -53.987 flat angles P-C4'-P energy: -31.672 tors. eta vs tors. theta energy: 4.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -321.574121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.574121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.574121 (E_RNA) where: Base-Base interactions energy: -124.649 where: short stacking energy: -106.294 Base-Backbone interact. energy: 4.248 local terms energy: -201.173117 where: bonds (distance) C4'-P energy: -58.132 bonds (distance) P-C4' energy: -62.185 flat angles C4'-P-C4' energy: -59.309 flat angles P-C4'-P energy: -27.597 tors. eta vs tors. theta energy: 6.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1362.018694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.018694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.018694 (E_RNA) where: Base-Base interactions energy: -949.935 where: short stacking energy: -391.546 Base-Backbone interact. energy: -0.632 local terms energy: -411.451522 where: bonds (distance) C4'-P energy: -66.000 bonds (distance) P-C4' energy: -83.865 flat angles C4'-P-C4' energy: -91.475 flat angles P-C4'-P energy: -63.222 tors. eta vs tors. theta energy: -106.889 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: 192 Temperature: 0.950000 Total energy: -1289.646225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.646225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.646225 (E_RNA) where: Base-Base interactions energy: -876.611 where: short stacking energy: -382.589 Base-Backbone interact. energy: -2.164 local terms energy: -410.870492 where: bonds (distance) C4'-P energy: -81.349 bonds (distance) P-C4' energy: -78.187 flat angles C4'-P-C4' energy: -81.140 flat angles P-C4'-P energy: -52.361 tors. eta vs tors. theta energy: -117.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1283.854063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.854063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.854063 (E_RNA) where: Base-Base interactions energy: -882.571 where: short stacking energy: -382.248 Base-Backbone interact. energy: -4.338 local terms energy: -396.945785 where: bonds (distance) C4'-P energy: -77.811 bonds (distance) P-C4' energy: -74.802 flat angles C4'-P-C4' energy: -83.503 flat angles P-C4'-P energy: -56.544 tors. eta vs tors. theta energy: -104.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1215.313713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.313713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.313713 (E_RNA) where: Base-Base interactions energy: -837.904 where: short stacking energy: -358.002 Base-Backbone interact. energy: -0.992 local terms energy: -376.417448 where: bonds (distance) C4'-P energy: -69.203 bonds (distance) P-C4' energy: -66.776 flat angles C4'-P-C4' energy: -81.872 flat angles P-C4'-P energy: -48.934 tors. eta vs tors. theta energy: -109.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1208.347237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.347237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.347237 (E_RNA) where: Base-Base interactions energy: -801.529 where: short stacking energy: -347.044 Base-Backbone interact. energy: -1.544 local terms energy: -405.274389 where: bonds (distance) C4'-P energy: -81.056 bonds (distance) P-C4' energy: -75.333 flat angles C4'-P-C4' energy: -82.961 flat angles P-C4'-P energy: -54.689 tors. eta vs tors. theta energy: -111.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1007.012987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.012987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.012987 (E_RNA) where: Base-Base interactions energy: -655.158 where: short stacking energy: -294.720 Base-Backbone interact. energy: 2.831 local terms energy: -354.686683 where: bonds (distance) C4'-P energy: -68.788 bonds (distance) P-C4' energy: -67.751 flat angles C4'-P-C4' energy: -83.127 flat angles P-C4'-P energy: -45.151 tors. eta vs tors. theta energy: -89.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1002.209772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.209772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.209772 (E_RNA) where: Base-Base interactions energy: -660.474 where: short stacking energy: -296.067 Base-Backbone interact. energy: -1.393 local terms energy: -340.342576 where: bonds (distance) C4'-P energy: -63.079 bonds (distance) P-C4' energy: -68.386 flat angles C4'-P-C4' energy: -81.436 flat angles P-C4'-P energy: -37.827 tors. eta vs tors. theta energy: -89.615 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: 8, replica: 10 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -840.232638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.232638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.232638 (E_RNA) where: Base-Base interactions energy: -563.432 where: short stacking energy: -249.123 Base-Backbone interact. energy: 4.849 local terms energy: -281.649837 where: bonds (distance) C4'-P energy: -67.430 bonds (distance) P-C4' energy: -56.067 flat angles C4'-P-C4' energy: -63.969 flat angles P-C4'-P energy: -39.146 tors. eta vs tors. theta energy: -55.037 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: 5 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -353.878300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.878300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.878300 (E_RNA) where: Base-Base interactions energy: -123.324 where: short stacking energy: -100.217 Base-Backbone interact. energy: -2.302 local terms energy: -228.252717 where: bonds (distance) C4'-P energy: -64.683 bonds (distance) P-C4' energy: -61.480 flat angles C4'-P-C4' energy: -57.953 flat angles P-C4'-P energy: -40.186 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -313.754342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.754342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.754342 (E_RNA) where: Base-Base interactions energy: -110.448 where: short stacking energy: -85.066 Base-Backbone interact. energy: -1.100 local terms energy: -202.206784 where: bonds (distance) C4'-P energy: -67.052 bonds (distance) P-C4' energy: -60.602 flat angles C4'-P-C4' energy: -64.569 flat angles P-C4'-P energy: -29.521 tors. eta vs tors. theta energy: 19.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1348.158086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.158086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.158086 (E_RNA) where: Base-Base interactions energy: -918.718 where: short stacking energy: -387.428 Base-Backbone interact. energy: -1.355 local terms energy: -428.084626 where: bonds (distance) C4'-P energy: -82.232 bonds (distance) P-C4' energy: -78.717 flat angles C4'-P-C4' energy: -93.945 flat angles P-C4'-P energy: -62.157 tors. eta vs tors. theta energy: -111.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1292.661130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.661130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.661130 (E_RNA) where: Base-Base interactions energy: -891.805 where: short stacking energy: -394.195 Base-Backbone interact. energy: -0.951 local terms energy: -399.905917 where: bonds (distance) C4'-P energy: -67.988 bonds (distance) P-C4' energy: -74.133 flat angles C4'-P-C4' energy: -84.837 flat angles P-C4'-P energy: -52.934 tors. eta vs tors. theta energy: -120.014 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: 3 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1277.058590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.058590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.058590 (E_RNA) where: Base-Base interactions energy: -894.101 where: short stacking energy: -388.300 Base-Backbone interact. energy: -0.041 local terms energy: -382.916544 where: bonds (distance) C4'-P energy: -71.063 bonds (distance) P-C4' energy: -67.813 flat angles C4'-P-C4' energy: -84.296 flat angles P-C4'-P energy: -52.504 tors. eta vs tors. theta energy: -107.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1237.454527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.454527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.454527 (E_RNA) where: Base-Base interactions energy: -851.351 where: short stacking energy: -360.554 Base-Backbone interact. energy: -1.839 local terms energy: -384.264534 where: bonds (distance) C4'-P energy: -67.954 bonds (distance) P-C4' energy: -71.323 flat angles C4'-P-C4' energy: -83.056 flat angles P-C4'-P energy: -49.005 tors. eta vs tors. theta energy: -112.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1149.316772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.316772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.316772 (E_RNA) where: Base-Base interactions energy: -768.226 where: short stacking energy: -347.382 Base-Backbone interact. energy: -1.365 local terms energy: -379.725943 where: bonds (distance) C4'-P energy: -73.390 bonds (distance) P-C4' energy: -80.312 flat angles C4'-P-C4' energy: -81.259 flat angles P-C4'-P energy: -47.216 tors. eta vs tors. theta energy: -97.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1018.423678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.423678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.423678 (E_RNA) where: Base-Base interactions energy: -660.964 where: short stacking energy: -300.742 Base-Backbone interact. energy: -1.556 local terms energy: -355.902832 where: bonds (distance) C4'-P energy: -61.839 bonds (distance) P-C4' energy: -81.327 flat angles C4'-P-C4' energy: -72.879 flat angles P-C4'-P energy: -54.308 tors. eta vs tors. theta energy: -85.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -958.564497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.564497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.564497 (E_RNA) where: Base-Base interactions energy: -628.457 where: short stacking energy: -275.692 Base-Backbone interact. energy: -1.533 local terms energy: -328.574071 where: bonds (distance) C4'-P energy: -72.631 bonds (distance) P-C4' energy: -55.215 flat angles C4'-P-C4' energy: -76.400 flat angles P-C4'-P energy: -46.047 tors. eta vs tors. theta energy: -78.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -842.073041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.073041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.073041 (E_RNA) where: Base-Base interactions energy: -562.308 where: short stacking energy: -246.198 Base-Backbone interact. energy: -1.710 local terms energy: -278.054889 where: bonds (distance) C4'-P energy: -61.835 bonds (distance) P-C4' energy: -53.726 flat angles C4'-P-C4' energy: -65.295 flat angles P-C4'-P energy: -47.304 tors. eta vs tors. theta energy: -49.895 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: 5 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -355.973917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.973917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.973917 (E_RNA) where: Base-Base interactions energy: -116.849 where: short stacking energy: -96.043 Base-Backbone interact. energy: -2.153 local terms energy: -236.972037 where: bonds (distance) C4'-P energy: -66.804 bonds (distance) P-C4' energy: -61.329 flat angles C4'-P-C4' energy: -62.602 flat angles P-C4'-P energy: -43.373 tors. eta vs tors. theta energy: -2.864 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: 1 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -319.726497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.726497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.726497 (E_RNA) where: Base-Base interactions energy: -114.254 where: short stacking energy: -109.846 Base-Backbone interact. energy: 2.661 local terms energy: -208.133191 where: bonds (distance) C4'-P energy: -64.675 bonds (distance) P-C4' energy: -63.582 flat angles C4'-P-C4' energy: -60.152 flat angles P-C4'-P energy: -27.778 tors. eta vs tors. theta energy: 8.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1363.504963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.504963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.504963 (E_RNA) where: Base-Base interactions energy: -959.152 where: short stacking energy: -409.546 Base-Backbone interact. energy: 0.404 local terms energy: -404.756582 where: bonds (distance) C4'-P energy: -73.885 bonds (distance) P-C4' energy: -74.095 flat angles C4'-P-C4' energy: -87.778 flat angles P-C4'-P energy: -56.857 tors. eta vs tors. theta energy: -112.142 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: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1301.694479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.694479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.694479 (E_RNA) where: Base-Base interactions energy: -895.246 where: short stacking energy: -382.281 Base-Backbone interact. energy: 0.817 local terms energy: -407.265051 where: bonds (distance) C4'-P energy: -78.228 bonds (distance) P-C4' energy: -78.342 flat angles C4'-P-C4' energy: -85.430 flat angles P-C4'-P energy: -55.797 tors. eta vs tors. theta energy: -109.468 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: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1301.159658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.159658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.159658 (E_RNA) where: Base-Base interactions energy: -885.596 where: short stacking energy: -387.569 Base-Backbone interact. energy: -0.833 local terms energy: -414.730564 where: bonds (distance) C4'-P energy: -75.727 bonds (distance) P-C4' energy: -75.536 flat angles C4'-P-C4' energy: -87.957 flat angles P-C4'-P energy: -59.535 tors. eta vs tors. theta energy: -115.975 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: 2 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1212.693578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.693578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.693578 (E_RNA) where: Base-Base interactions energy: -849.950 where: short stacking energy: -354.716 Base-Backbone interact. energy: -0.955 local terms energy: -361.788621 where: bonds (distance) C4'-P energy: -58.888 bonds (distance) P-C4' energy: -65.063 flat angles C4'-P-C4' energy: -84.286 flat angles P-C4'-P energy: -58.108 tors. eta vs tors. theta energy: -95.445 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: 7 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1169.486782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.486782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.486782 (E_RNA) where: Base-Base interactions energy: -779.518 where: short stacking energy: -356.208 Base-Backbone interact. energy: 0.487 local terms energy: -390.455602 where: bonds (distance) C4'-P energy: -72.662 bonds (distance) P-C4' energy: -58.463 flat angles C4'-P-C4' energy: -81.758 flat angles P-C4'-P energy: -59.991 tors. eta vs tors. theta energy: -117.581 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: 194 Temperature: 1.150000 Total energy: -982.884648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.884648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.884648 (E_RNA) where: Base-Base interactions energy: -660.025 where: short stacking energy: -315.741 Base-Backbone interact. energy: -0.801 local terms energy: -322.059133 where: bonds (distance) C4'-P energy: -68.039 bonds (distance) P-C4' energy: -61.773 flat angles C4'-P-C4' energy: -68.154 flat angles P-C4'-P energy: -31.710 tors. eta vs tors. theta energy: -92.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -922.106257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.106257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.106257 (E_RNA) where: Base-Base interactions energy: -582.041 where: short stacking energy: -290.420 Base-Backbone interact. energy: -2.076 local terms energy: -337.989248 where: bonds (distance) C4'-P energy: -67.775 bonds (distance) P-C4' energy: -84.560 flat angles C4'-P-C4' energy: -78.117 flat angles P-C4'-P energy: -40.318 tors. eta vs tors. theta energy: -67.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -864.258115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.258115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.258115 (E_RNA) where: Base-Base interactions energy: -573.720 where: short stacking energy: -247.736 Base-Backbone interact. energy: 0.765 local terms energy: -291.302532 where: bonds (distance) C4'-P energy: -53.064 bonds (distance) P-C4' energy: -81.450 flat angles C4'-P-C4' energy: -60.619 flat angles P-C4'-P energy: -41.131 tors. eta vs tors. theta energy: -55.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -328.394461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.394461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.394461 (E_RNA) where: Base-Base interactions energy: -126.316 where: short stacking energy: -82.588 Base-Backbone interact. energy: 1.198 local terms energy: -203.276322 where: bonds (distance) C4'-P energy: -49.455 bonds (distance) P-C4' energy: -69.752 flat angles C4'-P-C4' energy: -58.426 flat angles P-C4'-P energy: -36.644 tors. eta vs tors. theta energy: 11.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -326.736459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.736459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.736459 (E_RNA) where: Base-Base interactions energy: -114.262 where: short stacking energy: -86.924 Base-Backbone interact. energy: -1.840 local terms energy: -210.634980 where: bonds (distance) C4'-P energy: -67.727 bonds (distance) P-C4' energy: -66.129 flat angles C4'-P-C4' energy: -52.507 flat angles P-C4'-P energy: -34.824 tors. eta vs tors. theta energy: 10.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1389.552147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.552147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.552147 (E_RNA) where: Base-Base interactions energy: -977.016 where: short stacking energy: -403.930 Base-Backbone interact. energy: 0.229 local terms energy: -412.765145 where: bonds (distance) C4'-P energy: -71.815 bonds (distance) P-C4' energy: -80.551 flat angles C4'-P-C4' energy: -84.388 flat angles P-C4'-P energy: -61.956 tors. eta vs tors. theta energy: -114.055 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: 3 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1327.206852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.206852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.206852 (E_RNA) where: Base-Base interactions energy: -905.301 where: short stacking energy: -390.107 Base-Backbone interact. energy: 0.024 local terms energy: -421.929923 where: bonds (distance) C4'-P energy: -83.782 bonds (distance) P-C4' energy: -71.996 flat angles C4'-P-C4' energy: -90.510 flat angles P-C4'-P energy: -60.783 tors. eta vs tors. theta energy: -114.859 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: 4 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1278.835497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.835497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.835497 (E_RNA) where: Base-Base interactions energy: -865.563 where: short stacking energy: -393.250 Base-Backbone interact. energy: 2.115 local terms energy: -415.387582 where: bonds (distance) C4'-P energy: -80.201 bonds (distance) P-C4' energy: -77.448 flat angles C4'-P-C4' energy: -86.142 flat angles P-C4'-P energy: -48.171 tors. eta vs tors. theta energy: -123.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1240.949533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.949533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.949533 (E_RNA) where: Base-Base interactions energy: -858.496 where: short stacking energy: -351.374 Base-Backbone interact. energy: 0.531 local terms energy: -382.984564 where: bonds (distance) C4'-P energy: -66.907 bonds (distance) P-C4' energy: -75.266 flat angles C4'-P-C4' energy: -77.099 flat angles P-C4'-P energy: -60.661 tors. eta vs tors. theta energy: -103.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1165.759103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.759103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.759103 (E_RNA) where: Base-Base interactions energy: -794.574 where: short stacking energy: -336.701 Base-Backbone interact. energy: -0.629 local terms energy: -370.555854 where: bonds (distance) C4'-P energy: -67.188 bonds (distance) P-C4' energy: -70.472 flat angles C4'-P-C4' energy: -84.136 flat angles P-C4'-P energy: -46.798 tors. eta vs tors. theta energy: -101.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1029.665579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.665579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.665579 (E_RNA) where: Base-Base interactions energy: -680.435 where: short stacking energy: -322.547 Base-Backbone interact. energy: -0.976 local terms energy: -348.253998 where: bonds (distance) C4'-P energy: -69.120 bonds (distance) P-C4' energy: -61.646 flat angles C4'-P-C4' energy: -72.259 flat angles P-C4'-P energy: -54.209 tors. eta vs tors. theta energy: -91.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -878.323165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.323165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.323165 (E_RNA) where: Base-Base interactions energy: -594.721 where: short stacking energy: -264.108 Base-Backbone interact. energy: -0.551 local terms energy: -283.051128 where: bonds (distance) C4'-P energy: -60.307 bonds (distance) P-C4' energy: -49.331 flat angles C4'-P-C4' energy: -68.016 flat angles P-C4'-P energy: -46.151 tors. eta vs tors. theta energy: -59.247 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: 10 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -819.451751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.451751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.451751 (E_RNA) where: Base-Base interactions energy: -543.045 where: short stacking energy: -223.802 Base-Backbone interact. energy: -2.709 local terms energy: -273.698351 where: bonds (distance) C4'-P energy: -52.684 bonds (distance) P-C4' energy: -65.408 flat angles C4'-P-C4' energy: -61.798 flat angles P-C4'-P energy: -43.722 tors. eta vs tors. theta energy: -50.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -341.641918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.641918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.641918 (E_RNA) where: Base-Base interactions energy: -131.839 where: short stacking energy: -90.005 Base-Backbone interact. energy: -0.144 local terms energy: -209.658454 where: bonds (distance) C4'-P energy: -56.726 bonds (distance) P-C4' energy: -67.066 flat angles C4'-P-C4' energy: -65.129 flat angles P-C4'-P energy: -35.962 tors. eta vs tors. theta energy: 15.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -338.691786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.691786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.691786 (E_RNA) where: Base-Base interactions energy: -115.793 where: short stacking energy: -89.607 Base-Backbone interact. energy: 3.419 local terms energy: -226.317952 where: bonds (distance) C4'-P energy: -42.083 bonds (distance) P-C4' energy: -76.943 flat angles C4'-P-C4' energy: -67.211 flat angles P-C4'-P energy: -35.318 tors. eta vs tors. theta energy: -4.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1371.073439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.073439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.073439 (E_RNA) where: Base-Base interactions energy: -933.274 where: short stacking energy: -391.777 Base-Backbone interact. energy: -3.054 local terms energy: -434.746097 where: bonds (distance) C4'-P energy: -86.702 bonds (distance) P-C4' energy: -81.532 flat angles C4'-P-C4' energy: -90.256 flat angles P-C4'-P energy: -61.643 tors. eta vs tors. theta energy: -114.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1313.423675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.423675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.423675 (E_RNA) where: Base-Base interactions energy: -911.653 where: short stacking energy: -378.247 Base-Backbone interact. energy: -1.879 local terms energy: -399.891529 where: bonds (distance) C4'-P energy: -71.856 bonds (distance) P-C4' energy: -70.392 flat angles C4'-P-C4' energy: -93.568 flat angles P-C4'-P energy: -59.288 tors. eta vs tors. theta energy: -104.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1272.553570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.553570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.553570 (E_RNA) where: Base-Base interactions energy: -869.866 where: short stacking energy: -373.834 Base-Backbone interact. energy: 0.449 local terms energy: -403.135858 where: bonds (distance) C4'-P energy: -74.630 bonds (distance) P-C4' energy: -80.338 flat angles C4'-P-C4' energy: -86.638 flat angles P-C4'-P energy: -55.581 tors. eta vs tors. theta energy: -105.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1262.675813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.675813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.675813 (E_RNA) where: Base-Base interactions energy: -851.388 where: short stacking energy: -393.129 Base-Backbone interact. energy: 0.471 local terms energy: -411.758506 where: bonds (distance) C4'-P energy: -88.332 bonds (distance) P-C4' energy: -61.614 flat angles C4'-P-C4' energy: -90.172 flat angles P-C4'-P energy: -50.108 tors. eta vs tors. theta energy: -121.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1161.331157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.331157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.331157 (E_RNA) where: Base-Base interactions energy: -776.916 where: short stacking energy: -348.084 Base-Backbone interact. energy: -0.639 local terms energy: -383.776208 where: bonds (distance) C4'-P energy: -62.253 bonds (distance) P-C4' energy: -78.958 flat angles C4'-P-C4' energy: -84.650 flat angles P-C4'-P energy: -48.583 tors. eta vs tors. theta energy: -109.333 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: 9 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1028.956971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.956971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.956971 (E_RNA) where: Base-Base interactions energy: -694.423 where: short stacking energy: -326.156 Base-Backbone interact. energy: -0.853 local terms energy: -333.680952 where: bonds (distance) C4'-P energy: -66.810 bonds (distance) P-C4' energy: -60.611 flat angles C4'-P-C4' energy: -69.833 flat angles P-C4'-P energy: -51.317 tors. eta vs tors. theta energy: -85.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -877.563261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.563261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.563261 (E_RNA) where: Base-Base interactions energy: -597.661 where: short stacking energy: -242.646 Base-Backbone interact. energy: -1.703 local terms energy: -278.199166 where: bonds (distance) C4'-P energy: -49.189 bonds (distance) P-C4' energy: -54.639 flat angles C4'-P-C4' energy: -79.264 flat angles P-C4'-P energy: -34.107 tors. eta vs tors. theta energy: -61.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -786.875741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.875741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.875741 (E_RNA) where: Base-Base interactions energy: -522.455 where: short stacking energy: -225.466 Base-Backbone interact. energy: -0.432 local terms energy: -263.988496 where: bonds (distance) C4'-P energy: -55.819 bonds (distance) P-C4' energy: -58.089 flat angles C4'-P-C4' energy: -69.426 flat angles P-C4'-P energy: -30.307 tors. eta vs tors. theta energy: -50.347 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: 1 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -389.257846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.257846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.257846 (E_RNA) where: Base-Base interactions energy: -169.690 where: short stacking energy: -127.093 Base-Backbone interact. energy: 7.511 local terms energy: -227.078678 where: bonds (distance) C4'-P energy: -57.058 bonds (distance) P-C4' energy: -67.220 flat angles C4'-P-C4' energy: -67.454 flat angles P-C4'-P energy: -42.944 tors. eta vs tors. theta energy: 7.597 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: 10, replica: 5 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -329.456896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.456896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.456896 (E_RNA) where: Base-Base interactions energy: -134.313 where: short stacking energy: -83.407 Base-Backbone interact. energy: -0.557 local terms energy: -194.586720 where: bonds (distance) C4'-P energy: -70.293 bonds (distance) P-C4' energy: -74.391 flat angles C4'-P-C4' energy: -39.275 flat angles P-C4'-P energy: -20.750 tors. eta vs tors. theta energy: 10.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1353.263170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.263170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.263170 (E_RNA) where: Base-Base interactions energy: -942.237 where: short stacking energy: -409.188 Base-Backbone interact. energy: -1.752 local terms energy: -409.274235 where: bonds (distance) C4'-P energy: -68.150 bonds (distance) P-C4' energy: -80.595 flat angles C4'-P-C4' energy: -89.076 flat angles P-C4'-P energy: -54.031 tors. eta vs tors. theta energy: -117.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1305.224079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.224079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.224079 (E_RNA) where: Base-Base interactions energy: -890.889 where: short stacking energy: -381.517 Base-Backbone interact. energy: -1.058 local terms energy: -413.276989 where: bonds (distance) C4'-P energy: -77.004 bonds (distance) P-C4' energy: -73.649 flat angles C4'-P-C4' energy: -80.952 flat angles P-C4'-P energy: -63.204 tors. eta vs tors. theta energy: -118.468 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: 2 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1280.895077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.895077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.895077 (E_RNA) where: Base-Base interactions energy: -877.104 where: short stacking energy: -383.444 Base-Backbone interact. energy: -1.148 local terms energy: -402.642861 where: bonds (distance) C4'-P energy: -70.246 bonds (distance) P-C4' energy: -77.934 flat angles C4'-P-C4' energy: -82.465 flat angles P-C4'-P energy: -60.765 tors. eta vs tors. theta energy: -111.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1212.777450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.777450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.777450 (E_RNA) where: Base-Base interactions energy: -824.318 where: short stacking energy: -353.753 Base-Backbone interact. energy: -0.826 local terms energy: -387.633549 where: bonds (distance) C4'-P energy: -66.274 bonds (distance) P-C4' energy: -71.873 flat angles C4'-P-C4' energy: -84.843 flat angles P-C4'-P energy: -53.417 tors. eta vs tors. theta energy: -111.227 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: 5, replica: 7 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1140.417377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.417377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.417377 (E_RNA) where: Base-Base interactions energy: -757.538 where: short stacking energy: -349.569 Base-Backbone interact. energy: 2.789 local terms energy: -385.668085 where: bonds (distance) C4'-P energy: -69.136 bonds (distance) P-C4' energy: -80.235 flat angles C4'-P-C4' energy: -82.655 flat angles P-C4'-P energy: -48.711 tors. eta vs tors. theta energy: -104.932 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: 9 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1059.138055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.138055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.138055 (E_RNA) where: Base-Base interactions energy: -698.725 where: short stacking energy: -323.868 Base-Backbone interact. energy: -2.158 local terms energy: -358.254227 where: bonds (distance) C4'-P energy: -81.137 bonds (distance) P-C4' energy: -61.387 flat angles C4'-P-C4' energy: -71.397 flat angles P-C4'-P energy: -54.759 tors. eta vs tors. theta energy: -89.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -835.922308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.922308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.922308 (E_RNA) where: Base-Base interactions energy: -536.141 where: short stacking energy: -270.046 Base-Backbone interact. energy: 5.492 local terms energy: -305.273374 where: bonds (distance) C4'-P energy: -65.981 bonds (distance) P-C4' energy: -70.741 flat angles C4'-P-C4' energy: -73.490 flat angles P-C4'-P energy: -31.892 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: 8, replica: 10 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -779.101245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.101245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.101245 (E_RNA) where: Base-Base interactions energy: -502.872 where: short stacking energy: -219.427 Base-Backbone interact. energy: -0.968 local terms energy: -275.261401 where: bonds (distance) C4'-P energy: -78.184 bonds (distance) P-C4' energy: -63.186 flat angles C4'-P-C4' energy: -58.866 flat angles P-C4'-P energy: -35.656 tors. eta vs tors. theta energy: -39.370 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: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -351.966826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.966826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.966826 (E_RNA) where: Base-Base interactions energy: -158.837 where: short stacking energy: -103.473 Base-Backbone interact. energy: 1.603 local terms energy: -194.732374 where: bonds (distance) C4'-P energy: -64.296 bonds (distance) P-C4' energy: -60.380 flat angles C4'-P-C4' energy: -46.630 flat angles P-C4'-P energy: -31.650 tors. eta vs tors. theta energy: 8.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -356.585066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.585066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.585066 (E_RNA) where: Base-Base interactions energy: -132.583 where: short stacking energy: -104.571 Base-Backbone interact. energy: 0.643 local terms energy: -224.645014 where: bonds (distance) C4'-P energy: -73.005 bonds (distance) P-C4' energy: -66.220 flat angles C4'-P-C4' energy: -46.233 flat angles P-C4'-P energy: -40.116 tors. eta vs tors. theta energy: 0.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1387.176497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.176497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.176497 (E_RNA) where: Base-Base interactions energy: -953.458 where: short stacking energy: -422.604 Base-Backbone interact. energy: -0.801 local terms energy: -432.917481 where: bonds (distance) C4'-P energy: -81.598 bonds (distance) P-C4' energy: -81.552 flat angles C4'-P-C4' energy: -91.351 flat angles P-C4'-P energy: -59.186 tors. eta vs tors. theta energy: -119.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1305.209046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.209046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.209046 (E_RNA) where: Base-Base interactions energy: -917.617 where: short stacking energy: -408.931 Base-Backbone interact. energy: 1.343 local terms energy: -388.935662 where: bonds (distance) C4'-P energy: -69.415 bonds (distance) P-C4' energy: -64.823 flat angles C4'-P-C4' energy: -83.002 flat angles P-C4'-P energy: -59.729 tors. eta vs tors. theta energy: -111.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1284.793708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.793708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.793708 (E_RNA) where: Base-Base interactions energy: -880.410 where: short stacking energy: -382.629 Base-Backbone interact. energy: -0.557 local terms energy: -403.826852 where: bonds (distance) C4'-P energy: -80.330 bonds (distance) P-C4' energy: -78.600 flat angles C4'-P-C4' energy: -84.397 flat angles P-C4'-P energy: -45.988 tors. eta vs tors. theta energy: -114.512 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: 2 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1231.265998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.265998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.265998 (E_RNA) where: Base-Base interactions energy: -844.251 where: short stacking energy: -368.341 Base-Backbone interact. energy: -3.090 local terms energy: -383.924909 where: bonds (distance) C4'-P energy: -66.839 bonds (distance) P-C4' energy: -76.071 flat angles C4'-P-C4' energy: -81.596 flat angles P-C4'-P energy: -54.106 tors. eta vs tors. theta energy: -105.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1141.096080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.096080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.096080 (E_RNA) where: Base-Base interactions energy: -774.796 where: short stacking energy: -368.323 Base-Backbone interact. energy: -1.905 local terms energy: -364.394830 where: bonds (distance) C4'-P energy: -64.853 bonds (distance) P-C4' energy: -66.247 flat angles C4'-P-C4' energy: -79.176 flat angles P-C4'-P energy: -51.471 tors. eta vs tors. theta energy: -102.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1058.515795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.515795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.515795 (E_RNA) where: Base-Base interactions energy: -694.933 where: short stacking energy: -314.317 Base-Backbone interact. energy: -1.535 local terms energy: -362.047737 where: bonds (distance) C4'-P energy: -67.556 bonds (distance) P-C4' energy: -70.092 flat angles C4'-P-C4' energy: -87.222 flat angles P-C4'-P energy: -44.160 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: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -842.988377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.988377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.988377 (E_RNA) where: Base-Base interactions energy: -528.664 where: short stacking energy: -262.014 Base-Backbone interact. energy: -1.368 local terms energy: -312.955801 where: bonds (distance) C4'-P energy: -61.259 bonds (distance) P-C4' energy: -74.676 flat angles C4'-P-C4' energy: -74.355 flat angles P-C4'-P energy: -38.580 tors. eta vs tors. theta energy: -64.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -773.458723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.458723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.458723 (E_RNA) where: Base-Base interactions energy: -494.284 where: short stacking energy: -231.824 Base-Backbone interact. energy: 5.615 local terms energy: -284.789555 where: bonds (distance) C4'-P energy: -42.344 bonds (distance) P-C4' energy: -77.699 flat angles C4'-P-C4' energy: -67.313 flat angles P-C4'-P energy: -46.051 tors. eta vs tors. theta energy: -51.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -379.622581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.622581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.622581 (E_RNA) where: Base-Base interactions energy: -174.802 where: short stacking energy: -106.817 Base-Backbone interact. energy: 1.340 local terms energy: -206.160574 where: bonds (distance) C4'-P energy: -64.097 bonds (distance) P-C4' energy: -59.760 flat angles C4'-P-C4' energy: -47.612 flat angles P-C4'-P energy: -29.995 tors. eta vs tors. theta energy: -4.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -329.336858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.336858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.336858 (E_RNA) where: Base-Base interactions energy: -96.306 where: short stacking energy: -92.181 Base-Backbone interact. energy: 0.023 local terms energy: -233.053594 where: bonds (distance) C4'-P energy: -78.172 bonds (distance) P-C4' energy: -60.314 flat angles C4'-P-C4' energy: -54.424 flat angles P-C4'-P energy: -43.089 tors. eta vs tors. theta energy: 2.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1361.532713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.532713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.532713 (E_RNA) where: Base-Base interactions energy: -936.433 where: short stacking energy: -425.486 Base-Backbone interact. energy: -1.645 local terms energy: -423.454651 where: bonds (distance) C4'-P energy: -63.720 bonds (distance) P-C4' energy: -79.951 flat angles C4'-P-C4' energy: -96.932 flat angles P-C4'-P energy: -62.274 tors. eta vs tors. theta energy: -120.577 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: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1310.919360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.919360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.919360 (E_RNA) where: Base-Base interactions energy: -907.312 where: short stacking energy: -392.394 Base-Backbone interact. energy: -2.362 local terms energy: -401.245668 where: bonds (distance) C4'-P energy: -82.717 bonds (distance) P-C4' energy: -80.588 flat angles C4'-P-C4' energy: -71.925 flat angles P-C4'-P energy: -50.792 tors. eta vs tors. theta energy: -115.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1304.987874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.987874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.987874 (E_RNA) where: Base-Base interactions energy: -909.661 where: short stacking energy: -384.403 Base-Backbone interact. energy: 0.264 local terms energy: -395.590874 where: bonds (distance) C4'-P energy: -77.726 bonds (distance) P-C4' energy: -62.467 flat angles C4'-P-C4' energy: -81.645 flat angles P-C4'-P energy: -62.152 tors. eta vs tors. theta energy: -111.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1216.440277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.440277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.440277 (E_RNA) where: Base-Base interactions energy: -830.414 where: short stacking energy: -367.259 Base-Backbone interact. energy: -1.095 local terms energy: -384.931090 where: bonds (distance) C4'-P energy: -71.836 bonds (distance) P-C4' energy: -67.690 flat angles C4'-P-C4' energy: -85.984 flat angles P-C4'-P energy: -47.743 tors. eta vs tors. theta energy: -111.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1121.335757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.335757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.335757 (E_RNA) where: Base-Base interactions energy: -755.681 where: short stacking energy: -352.357 Base-Backbone interact. energy: -1.266 local terms energy: -364.389006 where: bonds (distance) C4'-P energy: -59.313 bonds (distance) P-C4' energy: -73.837 flat angles C4'-P-C4' energy: -73.760 flat angles P-C4'-P energy: -52.931 tors. eta vs tors. theta energy: -104.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1093.738081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.738081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.738081 (E_RNA) where: Base-Base interactions energy: -733.510 where: short stacking energy: -336.576 Base-Backbone interact. energy: -0.431 local terms energy: -359.796989 where: bonds (distance) C4'-P energy: -72.224 bonds (distance) P-C4' energy: -54.205 flat angles C4'-P-C4' energy: -84.831 flat angles P-C4'-P energy: -47.512 tors. eta vs tors. theta energy: -101.026 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: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -846.322747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.322747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.322747 (E_RNA) where: Base-Base interactions energy: -529.132 where: short stacking energy: -251.556 Base-Backbone interact. energy: -0.923 local terms energy: -316.267089 where: bonds (distance) C4'-P energy: -64.857 bonds (distance) P-C4' energy: -66.705 flat angles C4'-P-C4' energy: -70.463 flat angles P-C4'-P energy: -50.814 tors. eta vs tors. theta energy: -63.428 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: 8, replica: 10 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -785.279883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.279883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.279883 (E_RNA) where: Base-Base interactions energy: -494.789 where: short stacking energy: -207.091 Base-Backbone interact. energy: -0.983 local terms energy: -289.507518 where: bonds (distance) C4'-P energy: -67.868 bonds (distance) P-C4' energy: -64.802 flat angles C4'-P-C4' energy: -68.041 flat angles P-C4'-P energy: -42.412 tors. eta vs tors. theta energy: -46.384 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: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -407.441772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.441772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.441772 (E_RNA) where: Base-Base interactions energy: -196.420 where: short stacking energy: -127.774 Base-Backbone interact. energy: 3.246 local terms energy: -214.267868 where: bonds (distance) C4'-P energy: -47.187 bonds (distance) P-C4' energy: -69.790 flat angles C4'-P-C4' energy: -73.570 flat angles P-C4'-P energy: -25.173 tors. eta vs tors. theta energy: 1.452 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: 10, replica: 5 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -332.378304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.378304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.378304 (E_RNA) where: Base-Base interactions energy: -116.974 where: short stacking energy: -106.136 Base-Backbone interact. energy: -0.075 local terms energy: -215.329064 where: bonds (distance) C4'-P energy: -63.949 bonds (distance) P-C4' energy: -68.034 flat angles C4'-P-C4' energy: -38.867 flat angles P-C4'-P energy: -45.570 tors. eta vs tors. theta energy: 1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1365.634646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.634646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.634646 (E_RNA) where: Base-Base interactions energy: -940.588 where: short stacking energy: -410.928 Base-Backbone interact. energy: -0.803 local terms energy: -424.243733 where: bonds (distance) C4'-P energy: -94.867 bonds (distance) P-C4' energy: -79.685 flat angles C4'-P-C4' energy: -82.913 flat angles P-C4'-P energy: -56.130 tors. eta vs tors. theta energy: -110.648 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: 2, replica: 8 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1319.748631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.748631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.748631 (E_RNA) where: Base-Base interactions energy: -906.803 where: short stacking energy: -375.097 Base-Backbone interact. energy: -1.137 local terms energy: -411.808459 where: bonds (distance) C4'-P energy: -68.244 bonds (distance) P-C4' energy: -79.137 flat angles C4'-P-C4' energy: -92.815 flat angles P-C4'-P energy: -57.661 tors. eta vs tors. theta energy: -113.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1295.385337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.385337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.385337 (E_RNA) where: Base-Base interactions energy: -877.346 where: short stacking energy: -393.273 Base-Backbone interact. energy: -1.578 local terms energy: -416.461462 where: bonds (distance) C4'-P energy: -74.027 bonds (distance) P-C4' energy: -72.165 flat angles C4'-P-C4' energy: -92.081 flat angles P-C4'-P energy: -63.014 tors. eta vs tors. theta energy: -115.174 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: 2 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1231.993355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.993355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.993355 (E_RNA) where: Base-Base interactions energy: -841.012 where: short stacking energy: -341.144 Base-Backbone interact. energy: -0.935 local terms energy: -390.047095 where: bonds (distance) C4'-P energy: -76.446 bonds (distance) P-C4' energy: -75.757 flat angles C4'-P-C4' energy: -77.673 flat angles P-C4'-P energy: -54.267 tors. eta vs tors. theta energy: -105.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1110.994553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.994553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.994553 (E_RNA) where: Base-Base interactions energy: -737.506 where: short stacking energy: -338.550 Base-Backbone interact. energy: -0.609 local terms energy: -372.879654 where: bonds (distance) C4'-P energy: -71.319 bonds (distance) P-C4' energy: -77.911 flat angles C4'-P-C4' energy: -72.530 flat angles P-C4'-P energy: -56.133 tors. eta vs tors. theta energy: -94.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1099.959636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.959636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.959636 (E_RNA) where: Base-Base interactions energy: -727.486 where: short stacking energy: -330.931 Base-Backbone interact. energy: 0.550 local terms energy: -373.023171 where: bonds (distance) C4'-P energy: -70.850 bonds (distance) P-C4' energy: -72.701 flat angles C4'-P-C4' energy: -82.819 flat angles P-C4'-P energy: -51.264 tors. eta vs tors. theta energy: -95.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -826.114974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.114974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.114974 (E_RNA) where: Base-Base interactions energy: -550.280 where: short stacking energy: -248.860 Base-Backbone interact. energy: 5.133 local terms energy: -280.968154 where: bonds (distance) C4'-P energy: -55.597 bonds (distance) P-C4' energy: -69.973 flat angles C4'-P-C4' energy: -71.309 flat angles P-C4'-P energy: -39.978 tors. eta vs tors. theta energy: -44.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -866.485082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.485082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.485082 (E_RNA) where: Base-Base interactions energy: -551.166 where: short stacking energy: -256.257 Base-Backbone interact. energy: -1.597 local terms energy: -313.721714 where: bonds (distance) C4'-P energy: -70.742 bonds (distance) P-C4' energy: -54.397 flat angles C4'-P-C4' energy: -66.084 flat angles P-C4'-P energy: -51.062 tors. eta vs tors. theta energy: -71.437 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: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -434.602466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.602466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.602466 (E_RNA) where: Base-Base interactions energy: -199.360 where: short stacking energy: -132.140 Base-Backbone interact. energy: -0.541 local terms energy: -234.701766 where: bonds (distance) C4'-P energy: -72.970 bonds (distance) P-C4' energy: -49.103 flat angles C4'-P-C4' energy: -70.239 flat angles P-C4'-P energy: -37.193 tors. eta vs tors. theta energy: -5.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -324.658244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.658244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.658244 (E_RNA) where: Base-Base interactions energy: -108.767 where: short stacking energy: -99.019 Base-Backbone interact. energy: -1.038 local terms energy: -214.853360 where: bonds (distance) C4'-P energy: -58.682 bonds (distance) P-C4' energy: -69.813 flat angles C4'-P-C4' energy: -58.300 flat angles P-C4'-P energy: -41.516 tors. eta vs tors. theta energy: 13.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1338.566988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.566988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.566988 (E_RNA) where: Base-Base interactions energy: -938.400 where: short stacking energy: -401.323 Base-Backbone interact. energy: -3.557 local terms energy: -396.609765 where: bonds (distance) C4'-P energy: -75.159 bonds (distance) P-C4' energy: -74.548 flat angles C4'-P-C4' energy: -85.935 flat angles P-C4'-P energy: -54.703 tors. eta vs tors. theta energy: -106.264 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: 8 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1341.504766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.504766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.504766 (E_RNA) where: Base-Base interactions energy: -914.390 where: short stacking energy: -380.402 Base-Backbone interact. energy: -1.817 local terms energy: -425.298271 where: bonds (distance) C4'-P energy: -83.212 bonds (distance) P-C4' energy: -79.029 flat angles C4'-P-C4' energy: -89.745 flat angles P-C4'-P energy: -59.849 tors. eta vs tors. theta energy: -113.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1303.746869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.746869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.746869 (E_RNA) where: Base-Base interactions energy: -890.946 where: short stacking energy: -384.215 Base-Backbone interact. energy: -1.132 local terms energy: -411.669440 where: bonds (distance) C4'-P energy: -73.763 bonds (distance) P-C4' energy: -80.738 flat angles C4'-P-C4' energy: -84.920 flat angles P-C4'-P energy: -53.382 tors. eta vs tors. theta energy: -118.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1250.436932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.436932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.436932 (E_RNA) where: Base-Base interactions energy: -871.000 where: short stacking energy: -379.006 Base-Backbone interact. energy: 1.088 local terms energy: -380.525138 where: bonds (distance) C4'-P energy: -66.939 bonds (distance) P-C4' energy: -77.587 flat angles C4'-P-C4' energy: -79.336 flat angles P-C4'-P energy: -44.588 tors. eta vs tors. theta energy: -112.076 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: 9 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1097.140516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.140516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.140516 (E_RNA) where: Base-Base interactions energy: -742.054 where: short stacking energy: -320.467 Base-Backbone interact. energy: -0.373 local terms energy: -354.713541 where: bonds (distance) C4'-P energy: -74.993 bonds (distance) P-C4' energy: -64.283 flat angles C4'-P-C4' energy: -71.331 flat angles P-C4'-P energy: -57.494 tors. eta vs tors. theta energy: -86.613 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: 6, replica: 7 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1103.442994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.442994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.442994 (E_RNA) where: Base-Base interactions energy: -739.265 where: short stacking energy: -346.679 Base-Backbone interact. energy: -2.191 local terms energy: -361.987440 where: bonds (distance) C4'-P energy: -66.780 bonds (distance) P-C4' energy: -74.725 flat angles C4'-P-C4' energy: -71.319 flat angles P-C4'-P energy: -51.255 tors. eta vs tors. theta energy: -97.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -871.863672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.863672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.863672 (E_RNA) where: Base-Base interactions energy: -565.676 where: short stacking energy: -242.238 Base-Backbone interact. energy: 1.791 local terms energy: -307.979001 where: bonds (distance) C4'-P energy: -66.767 bonds (distance) P-C4' energy: -71.813 flat angles C4'-P-C4' energy: -76.028 flat angles P-C4'-P energy: -36.364 tors. eta vs tors. theta energy: -57.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -836.784142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.784142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.784142 (E_RNA) where: Base-Base interactions energy: -536.295 where: short stacking energy: -239.877 Base-Backbone interact. energy: 1.198 local terms energy: -301.686227 where: bonds (distance) C4'-P energy: -67.065 bonds (distance) P-C4' energy: -73.901 flat angles C4'-P-C4' energy: -67.875 flat angles P-C4'-P energy: -43.038 tors. eta vs tors. theta energy: -49.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -397.465181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.465181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.465181 (E_RNA) where: Base-Base interactions energy: -177.363 where: short stacking energy: -120.663 Base-Backbone interact. energy: -1.009 local terms energy: -219.093370 where: bonds (distance) C4'-P energy: -53.200 bonds (distance) P-C4' energy: -70.671 flat angles C4'-P-C4' energy: -64.187 flat angles P-C4'-P energy: -41.790 tors. eta vs tors. theta energy: 10.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -311.155389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.155389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.155389 (E_RNA) where: Base-Base interactions energy: -91.428 where: short stacking energy: -75.698 Base-Backbone interact. energy: -2.150 local terms energy: -217.578132 where: bonds (distance) C4'-P energy: -60.426 bonds (distance) P-C4' energy: -77.217 flat angles C4'-P-C4' energy: -60.794 flat angles P-C4'-P energy: -38.596 tors. eta vs tors. theta energy: 19.454 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: 202 Temperature: 0.900000 Total energy: -1349.989289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.989289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.989289 (E_RNA) where: Base-Base interactions energy: -939.069 where: short stacking energy: -396.347 Base-Backbone interact. energy: -1.099 local terms energy: -409.822084 where: bonds (distance) C4'-P energy: -79.746 bonds (distance) P-C4' energy: -73.689 flat angles C4'-P-C4' energy: -93.685 flat angles P-C4'-P energy: -46.112 tors. eta vs tors. theta energy: -116.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1334.995854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.995854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.995854 (E_RNA) where: Base-Base interactions energy: -913.873 where: short stacking energy: -380.575 Base-Backbone interact. energy: -5.067 local terms energy: -416.056392 where: bonds (distance) C4'-P energy: -63.449 bonds (distance) P-C4' energy: -85.118 flat angles C4'-P-C4' energy: -86.255 flat angles P-C4'-P energy: -62.466 tors. eta vs tors. theta energy: -118.767 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: 4 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1306.465004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.465004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.465004 (E_RNA) where: Base-Base interactions energy: -884.553 where: short stacking energy: -383.503 Base-Backbone interact. energy: -0.438 local terms energy: -421.474444 where: bonds (distance) C4'-P energy: -79.636 bonds (distance) P-C4' energy: -73.934 flat angles C4'-P-C4' energy: -93.721 flat angles P-C4'-P energy: -55.408 tors. eta vs tors. theta energy: -118.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1214.389668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.389668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.389668 (E_RNA) where: Base-Base interactions energy: -839.655 where: short stacking energy: -335.863 Base-Backbone interact. energy: 0.437 local terms energy: -375.172064 where: bonds (distance) C4'-P energy: -70.029 bonds (distance) P-C4' energy: -75.238 flat angles C4'-P-C4' energy: -83.861 flat angles P-C4'-P energy: -47.591 tors. eta vs tors. theta energy: -98.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1125.555279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.555279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.555279 (E_RNA) where: Base-Base interactions energy: -767.349 where: short stacking energy: -352.628 Base-Backbone interact. energy: 0.577 local terms energy: -358.783412 where: bonds (distance) C4'-P energy: -62.838 bonds (distance) P-C4' energy: -71.836 flat angles C4'-P-C4' energy: -82.878 flat angles P-C4'-P energy: -46.714 tors. eta vs tors. theta energy: -94.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1068.267390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.267390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.267390 (E_RNA) where: Base-Base interactions energy: -722.500 where: short stacking energy: -334.629 Base-Backbone interact. energy: -1.578 local terms energy: -344.189469 where: bonds (distance) C4'-P energy: -71.002 bonds (distance) P-C4' energy: -53.309 flat angles C4'-P-C4' energy: -79.734 flat angles P-C4'-P energy: -50.553 tors. eta vs tors. theta energy: -89.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -873.792234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.792234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.792234 (E_RNA) where: Base-Base interactions energy: -577.395 where: short stacking energy: -267.383 Base-Backbone interact. energy: -2.337 local terms energy: -294.059827 where: bonds (distance) C4'-P energy: -54.590 bonds (distance) P-C4' energy: -66.978 flat angles C4'-P-C4' energy: -73.429 flat angles P-C4'-P energy: -42.645 tors. eta vs tors. theta energy: -56.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -807.704828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.704828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.704828 (E_RNA) where: Base-Base interactions energy: -511.238 where: short stacking energy: -224.076 Base-Backbone interact. energy: -2.071 local terms energy: -294.396509 where: bonds (distance) C4'-P energy: -63.947 bonds (distance) P-C4' energy: -67.129 flat angles C4'-P-C4' energy: -66.254 flat angles P-C4'-P energy: -42.648 tors. eta vs tors. theta energy: -54.418 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: 1 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -445.221011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.221011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.221011 (E_RNA) where: Base-Base interactions energy: -212.753 where: short stacking energy: -137.405 Base-Backbone interact. energy: -2.734 local terms energy: -229.734315 where: bonds (distance) C4'-P energy: -58.335 bonds (distance) P-C4' energy: -57.682 flat angles C4'-P-C4' energy: -54.971 flat angles P-C4'-P energy: -46.818 tors. eta vs tors. theta energy: -11.928 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: 10, replica: 5 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -328.800868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.800868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.800868 (E_RNA) where: Base-Base interactions energy: -131.538 where: short stacking energy: -105.081 Base-Backbone interact. energy: 7.079 local terms energy: -204.342736 where: bonds (distance) C4'-P energy: -56.405 bonds (distance) P-C4' energy: -65.024 flat angles C4'-P-C4' energy: -66.751 flat angles P-C4'-P energy: -22.184 tors. eta vs tors. theta energy: 6.021 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: 203 Temperature: 0.900000 Total energy: -1354.573706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.573706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.573706 (E_RNA) where: Base-Base interactions energy: -941.323 where: short stacking energy: -410.442 Base-Backbone interact. energy: -1.815 local terms energy: -411.435773 where: bonds (distance) C4'-P energy: -69.256 bonds (distance) P-C4' energy: -80.709 flat angles C4'-P-C4' energy: -85.485 flat angles P-C4'-P energy: -67.123 tors. eta vs tors. theta energy: -108.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1316.734678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.734678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.734678 (E_RNA) where: Base-Base interactions energy: -884.810 where: short stacking energy: -395.010 Base-Backbone interact. energy: 1.485 local terms energy: -433.409536 where: bonds (distance) C4'-P energy: -70.362 bonds (distance) P-C4' energy: -87.715 flat angles C4'-P-C4' energy: -91.658 flat angles P-C4'-P energy: -66.701 tors. eta vs tors. theta energy: -116.973 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: 203 Temperature: 1.000000 Total energy: -1315.890368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.890368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.890368 (E_RNA) where: Base-Base interactions energy: -911.173 where: short stacking energy: -384.474 Base-Backbone interact. energy: 0.683 local terms energy: -405.400847 where: bonds (distance) C4'-P energy: -77.047 bonds (distance) P-C4' energy: -80.182 flat angles C4'-P-C4' energy: -80.652 flat angles P-C4'-P energy: -47.269 tors. eta vs tors. theta energy: -120.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1203.913884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.913884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.913884 (E_RNA) where: Base-Base interactions energy: -810.071 where: short stacking energy: -334.254 Base-Backbone interact. energy: -0.587 local terms energy: -393.256247 where: bonds (distance) C4'-P energy: -68.982 bonds (distance) P-C4' energy: -75.221 flat angles C4'-P-C4' energy: -86.790 flat angles P-C4'-P energy: -58.570 tors. eta vs tors. theta energy: -103.693 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: 5, replica: 7 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1146.134485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.134485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.134485 (E_RNA) where: Base-Base interactions energy: -799.510 where: short stacking energy: -360.981 Base-Backbone interact. energy: -0.825 local terms energy: -345.799876 where: bonds (distance) C4'-P energy: -64.250 bonds (distance) P-C4' energy: -67.498 flat angles C4'-P-C4' energy: -78.899 flat angles P-C4'-P energy: -39.936 tors. eta vs tors. theta energy: -95.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1117.659369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.659369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.659369 (E_RNA) where: Base-Base interactions energy: -768.888 where: short stacking energy: -340.766 Base-Backbone interact. energy: -0.234 local terms energy: -348.537258 where: bonds (distance) C4'-P energy: -62.906 bonds (distance) P-C4' energy: -71.734 flat angles C4'-P-C4' energy: -74.726 flat angles P-C4'-P energy: -42.802 tors. eta vs tors. theta energy: -96.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -899.937542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.937542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.937542 (E_RNA) where: Base-Base interactions energy: -622.069 where: short stacking energy: -280.434 Base-Backbone interact. energy: -0.815 local terms energy: -277.052864 where: bonds (distance) C4'-P energy: -50.477 bonds (distance) P-C4' energy: -63.370 flat angles C4'-P-C4' energy: -64.897 flat angles P-C4'-P energy: -37.082 tors. eta vs tors. theta energy: -61.226 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: 8, replica: 6 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -807.244896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.244896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.244896 (E_RNA) where: Base-Base interactions energy: -491.056 where: short stacking energy: -219.624 Base-Backbone interact. energy: -1.461 local terms energy: -314.727703 where: bonds (distance) C4'-P energy: -60.398 bonds (distance) P-C4' energy: -75.772 flat angles C4'-P-C4' energy: -73.577 flat angles P-C4'-P energy: -49.712 tors. eta vs tors. theta energy: -55.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -418.161149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.161149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.161149 (E_RNA) where: Base-Base interactions energy: -177.061 where: short stacking energy: -117.961 Base-Backbone interact. energy: -1.968 local terms energy: -239.132165 where: bonds (distance) C4'-P energy: -59.788 bonds (distance) P-C4' energy: -72.671 flat angles C4'-P-C4' energy: -57.305 flat angles P-C4'-P energy: -42.620 tors. eta vs tors. theta energy: -6.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -308.219472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.219472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.219472 (E_RNA) where: Base-Base interactions energy: -94.057 where: short stacking energy: -76.205 Base-Backbone interact. energy: 5.050 local terms energy: -219.212848 where: bonds (distance) C4'-P energy: -68.473 bonds (distance) P-C4' energy: -75.985 flat angles C4'-P-C4' energy: -63.434 flat angles P-C4'-P energy: -28.601 tors. eta vs tors. theta energy: 17.280 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: 204 Temperature: 0.900000 Total energy: -1340.755462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.755462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.755462 (E_RNA) where: Base-Base interactions energy: -920.963 where: short stacking energy: -407.115 Base-Backbone interact. energy: -3.231 local terms energy: -416.561606 where: bonds (distance) C4'-P energy: -84.456 bonds (distance) P-C4' energy: -76.447 flat angles C4'-P-C4' energy: -86.810 flat angles P-C4'-P energy: -59.570 tors. eta vs tors. theta energy: -109.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1315.054308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.054308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.054308 (E_RNA) where: Base-Base interactions energy: -901.170 where: short stacking energy: -380.453 Base-Backbone interact. energy: -1.222 local terms energy: -412.662619 where: bonds (distance) C4'-P energy: -75.443 bonds (distance) P-C4' energy: -71.136 flat angles C4'-P-C4' energy: -94.186 flat angles P-C4'-P energy: -56.680 tors. eta vs tors. theta energy: -115.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1297.131800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.131800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.131800 (E_RNA) where: Base-Base interactions energy: -889.634 where: short stacking energy: -383.636 Base-Backbone interact. energy: -1.461 local terms energy: -406.036387 where: bonds (distance) C4'-P energy: -76.713 bonds (distance) P-C4' energy: -84.380 flat angles C4'-P-C4' energy: -87.152 flat angles P-C4'-P energy: -48.220 tors. eta vs tors. theta energy: -109.572 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: 204 Temperature: 1.050000 Total energy: -1194.497734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.497734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.497734 (E_RNA) where: Base-Base interactions energy: -815.404 where: short stacking energy: -339.078 Base-Backbone interact. energy: -1.272 local terms energy: -377.822250 where: bonds (distance) C4'-P energy: -71.323 bonds (distance) P-C4' energy: -77.123 flat angles C4'-P-C4' energy: -79.933 flat angles P-C4'-P energy: -59.449 tors. eta vs tors. theta energy: -89.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1129.176934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.176934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.176934 (E_RNA) where: Base-Base interactions energy: -762.030 where: short stacking energy: -355.286 Base-Backbone interact. energy: -0.139 local terms energy: -367.007312 where: bonds (distance) C4'-P energy: -66.654 bonds (distance) P-C4' energy: -67.042 flat angles C4'-P-C4' energy: -76.000 flat angles P-C4'-P energy: -52.015 tors. eta vs tors. theta energy: -105.296 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: 7 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1087.726335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.726335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.726335 (E_RNA) where: Base-Base interactions energy: -729.080 where: short stacking energy: -336.495 Base-Backbone interact. energy: -1.194 local terms energy: -357.451963 where: bonds (distance) C4'-P energy: -66.308 bonds (distance) P-C4' energy: -61.181 flat angles C4'-P-C4' energy: -78.592 flat angles P-C4'-P energy: -48.642 tors. eta vs tors. theta energy: -102.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -900.580767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.580767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.580767 (E_RNA) where: Base-Base interactions energy: -586.686 where: short stacking energy: -255.752 Base-Backbone interact. energy: -0.196 local terms energy: -313.699333 where: bonds (distance) C4'-P energy: -64.396 bonds (distance) P-C4' energy: -69.440 flat angles C4'-P-C4' energy: -69.759 flat angles P-C4'-P energy: -42.341 tors. eta vs tors. theta energy: -67.763 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: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -827.825683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.825683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.825683 (E_RNA) where: Base-Base interactions energy: -528.792 where: short stacking energy: -251.873 Base-Backbone interact. energy: -1.892 local terms energy: -297.142415 where: bonds (distance) C4'-P energy: -56.565 bonds (distance) P-C4' energy: -61.154 flat angles C4'-P-C4' energy: -74.955 flat angles P-C4'-P energy: -43.310 tors. eta vs tors. theta energy: -61.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -453.514724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.514724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.514724 (E_RNA) where: Base-Base interactions energy: -204.041 where: short stacking energy: -123.358 Base-Backbone interact. energy: -0.440 local terms energy: -249.033228 where: bonds (distance) C4'-P energy: -72.666 bonds (distance) P-C4' energy: -63.416 flat angles C4'-P-C4' energy: -62.833 flat angles P-C4'-P energy: -44.607 tors. eta vs tors. theta energy: -5.511 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: 5 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -316.829645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.829645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.829645 (E_RNA) where: Base-Base interactions energy: -110.015 where: short stacking energy: -92.392 Base-Backbone interact. energy: 0.788 local terms energy: -207.601950 where: bonds (distance) C4'-P energy: -70.148 bonds (distance) P-C4' energy: -74.382 flat angles C4'-P-C4' energy: -56.636 flat angles P-C4'-P energy: -25.027 tors. eta vs tors. theta energy: 18.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1348.254171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.254171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.254171 (E_RNA) where: Base-Base interactions energy: -933.971 where: short stacking energy: -417.429 Base-Backbone interact. energy: -0.991 local terms energy: -413.291967 where: bonds (distance) C4'-P energy: -74.735 bonds (distance) P-C4' energy: -79.674 flat angles C4'-P-C4' energy: -89.090 flat angles P-C4'-P energy: -50.359 tors. eta vs tors. theta energy: -119.434 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: 8 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1307.819216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.819216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.819216 (E_RNA) where: Base-Base interactions energy: -893.130 where: short stacking energy: -369.649 Base-Backbone interact. energy: -1.864 local terms energy: -412.825020 where: bonds (distance) C4'-P energy: -78.897 bonds (distance) P-C4' energy: -78.854 flat angles C4'-P-C4' energy: -84.017 flat angles P-C4'-P energy: -62.660 tors. eta vs tors. theta energy: -108.398 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: 205 Temperature: 1.000000 Total energy: -1290.416000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.416000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.416000 (E_RNA) where: Base-Base interactions energy: -901.565 where: short stacking energy: -387.927 Base-Backbone interact. energy: -1.161 local terms energy: -387.690919 where: bonds (distance) C4'-P energy: -68.668 bonds (distance) P-C4' energy: -66.105 flat angles C4'-P-C4' energy: -90.833 flat angles P-C4'-P energy: -56.922 tors. eta vs tors. theta energy: -105.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1173.776595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.776595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.776595 (E_RNA) where: Base-Base interactions energy: -799.465 where: short stacking energy: -327.816 Base-Backbone interact. energy: -4.116 local terms energy: -370.195320 where: bonds (distance) C4'-P energy: -83.641 bonds (distance) P-C4' energy: -77.040 flat angles C4'-P-C4' energy: -77.978 flat angles P-C4'-P energy: -44.877 tors. eta vs tors. theta energy: -86.660 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: 9 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1135.403673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.403673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.403673 (E_RNA) where: Base-Base interactions energy: -767.740 where: short stacking energy: -364.698 Base-Backbone interact. energy: -0.226 local terms energy: -367.438260 where: bonds (distance) C4'-P energy: -62.110 bonds (distance) P-C4' energy: -68.084 flat angles C4'-P-C4' energy: -74.529 flat angles P-C4'-P energy: -54.853 tors. eta vs tors. theta energy: -107.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1119.488117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.488117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.488117 (E_RNA) where: Base-Base interactions energy: -783.371 where: short stacking energy: -335.472 Base-Backbone interact. energy: -1.899 local terms energy: -334.218132 where: bonds (distance) C4'-P energy: -58.877 bonds (distance) P-C4' energy: -64.090 flat angles C4'-P-C4' energy: -70.030 flat angles P-C4'-P energy: -35.108 tors. eta vs tors. theta energy: -106.114 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: 10 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -890.718638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.718638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.718638 (E_RNA) where: Base-Base interactions energy: -599.415 where: short stacking energy: -249.726 Base-Backbone interact. energy: 0.799 local terms energy: -292.102537 where: bonds (distance) C4'-P energy: -61.453 bonds (distance) P-C4' energy: -52.989 flat angles C4'-P-C4' energy: -70.226 flat angles P-C4'-P energy: -49.833 tors. eta vs tors. theta energy: -57.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -866.996748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.996748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.996748 (E_RNA) where: Base-Base interactions energy: -569.883 where: short stacking energy: -245.581 Base-Backbone interact. energy: -1.522 local terms energy: -295.591572 where: bonds (distance) C4'-P energy: -62.149 bonds (distance) P-C4' energy: -55.468 flat angles C4'-P-C4' energy: -64.027 flat angles P-C4'-P energy: -47.696 tors. eta vs tors. theta energy: -66.252 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: 1 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -468.036146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.036146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.036146 (E_RNA) where: Base-Base interactions energy: -243.040 where: short stacking energy: -149.788 Base-Backbone interact. energy: 2.236 local terms energy: -227.232546 where: bonds (distance) C4'-P energy: -42.494 bonds (distance) P-C4' energy: -70.046 flat angles C4'-P-C4' energy: -56.701 flat angles P-C4'-P energy: -52.224 tors. eta vs tors. theta energy: -5.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -329.082395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.082395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.082395 (E_RNA) where: Base-Base interactions energy: -126.732 where: short stacking energy: -93.120 Base-Backbone interact. energy: -2.223 local terms energy: -200.127443 where: bonds (distance) C4'-P energy: -60.501 bonds (distance) P-C4' energy: -62.487 flat angles C4'-P-C4' energy: -56.075 flat angles P-C4'-P energy: -40.074 tors. eta vs tors. theta energy: 19.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1334.944190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.944190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.944190 (E_RNA) where: Base-Base interactions energy: -921.626 where: short stacking energy: -385.739 Base-Backbone interact. energy: -1.447 local terms energy: -411.871150 where: bonds (distance) C4'-P energy: -81.318 bonds (distance) P-C4' energy: -74.361 flat angles C4'-P-C4' energy: -80.992 flat angles P-C4'-P energy: -55.364 tors. eta vs tors. theta energy: -119.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1337.000916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.000916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.000916 (E_RNA) where: Base-Base interactions energy: -914.895 where: short stacking energy: -396.122 Base-Backbone interact. energy: -1.772 local terms energy: -420.333823 where: bonds (distance) C4'-P energy: -81.727 bonds (distance) P-C4' energy: -80.879 flat angles C4'-P-C4' energy: -81.523 flat angles P-C4'-P energy: -67.083 tors. eta vs tors. theta energy: -109.121 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: 206 Temperature: 1.000000 Total energy: -1283.907681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.907681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.907681 (E_RNA) where: Base-Base interactions energy: -894.344 where: short stacking energy: -388.341 Base-Backbone interact. energy: -1.589 local terms energy: -387.974905 where: bonds (distance) C4'-P energy: -69.630 bonds (distance) P-C4' energy: -71.038 flat angles C4'-P-C4' energy: -72.014 flat angles P-C4'-P energy: -62.924 tors. eta vs tors. theta energy: -112.369 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: 2 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1184.943910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.943910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.943910 (E_RNA) where: Base-Base interactions energy: -812.505 where: short stacking energy: -339.768 Base-Backbone interact. energy: 1.172 local terms energy: -373.611463 where: bonds (distance) C4'-P energy: -70.872 bonds (distance) P-C4' energy: -81.078 flat angles C4'-P-C4' energy: -73.912 flat angles P-C4'-P energy: -51.742 tors. eta vs tors. theta energy: -96.007 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: 7 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1174.242879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.242879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.242879 (E_RNA) where: Base-Base interactions energy: -783.295 where: short stacking energy: -349.114 Base-Backbone interact. energy: -1.683 local terms energy: -389.264010 where: bonds (distance) C4'-P energy: -71.162 bonds (distance) P-C4' energy: -62.262 flat angles C4'-P-C4' energy: -86.943 flat angles P-C4'-P energy: -56.501 tors. eta vs tors. theta energy: -112.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1084.677151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.677151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.677151 (E_RNA) where: Base-Base interactions energy: -721.883 where: short stacking energy: -328.752 Base-Backbone interact. energy: -1.079 local terms energy: -361.715055 where: bonds (distance) C4'-P energy: -69.808 bonds (distance) P-C4' energy: -69.018 flat angles C4'-P-C4' energy: -81.338 flat angles P-C4'-P energy: -39.434 tors. eta vs tors. theta energy: -102.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -862.442302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.442302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.442302 (E_RNA) where: Base-Base interactions energy: -556.942 where: short stacking energy: -256.267 Base-Backbone interact. energy: 4.985 local terms energy: -310.484741 where: bonds (distance) C4'-P energy: -69.182 bonds (distance) P-C4' energy: -65.859 flat angles C4'-P-C4' energy: -69.861 flat angles P-C4'-P energy: -40.326 tors. eta vs tors. theta energy: -65.257 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: 6 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -848.568945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.568945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.568945 (E_RNA) where: Base-Base interactions energy: -545.013 where: short stacking energy: -240.408 Base-Backbone interact. energy: 0.653 local terms energy: -304.209345 where: bonds (distance) C4'-P energy: -62.790 bonds (distance) P-C4' energy: -62.348 flat angles C4'-P-C4' energy: -72.696 flat angles P-C4'-P energy: -50.064 tors. eta vs tors. theta energy: -56.311 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: 206 Temperature: 1.300000 Total energy: -455.746167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.746167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.746167 (E_RNA) where: Base-Base interactions energy: -226.639 where: short stacking energy: -129.198 Base-Backbone interact. energy: -1.100 local terms energy: -228.007022 where: bonds (distance) C4'-P energy: -68.699 bonds (distance) P-C4' energy: -68.963 flat angles C4'-P-C4' energy: -51.127 flat angles P-C4'-P energy: -37.450 tors. eta vs tors. theta energy: -1.768 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: 5 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -349.346704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.346704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.346704 (E_RNA) where: Base-Base interactions energy: -129.243 where: short stacking energy: -93.991 Base-Backbone interact. energy: -0.222 local terms energy: -219.882227 where: bonds (distance) C4'-P energy: -64.446 bonds (distance) P-C4' energy: -80.058 flat angles C4'-P-C4' energy: -50.461 flat angles P-C4'-P energy: -41.916 tors. eta vs tors. theta energy: 16.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1318.736322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.736322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.736322 (E_RNA) where: Base-Base interactions energy: -918.594 where: short stacking energy: -394.074 Base-Backbone interact. energy: 1.402 local terms energy: -401.544456 where: bonds (distance) C4'-P energy: -69.368 bonds (distance) P-C4' energy: -78.379 flat angles C4'-P-C4' energy: -87.810 flat angles P-C4'-P energy: -61.750 tors. eta vs tors. theta energy: -104.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1343.640856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.640856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.640856 (E_RNA) where: Base-Base interactions energy: -927.509 where: short stacking energy: -399.787 Base-Backbone interact. energy: -0.660 local terms energy: -415.471371 where: bonds (distance) C4'-P energy: -70.975 bonds (distance) P-C4' energy: -80.249 flat angles C4'-P-C4' energy: -86.584 flat angles P-C4'-P energy: -60.382 tors. eta vs tors. theta energy: -117.281 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: 207 Temperature: 1.000000 Total energy: -1279.576153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.576153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.576153 (E_RNA) where: Base-Base interactions energy: -870.761 where: short stacking energy: -394.345 Base-Backbone interact. energy: 1.460 local terms energy: -410.274566 where: bonds (distance) C4'-P energy: -82.669 bonds (distance) P-C4' energy: -77.686 flat angles C4'-P-C4' energy: -86.106 flat angles P-C4'-P energy: -43.043 tors. eta vs tors. theta energy: -120.772 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: 2 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1198.485754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.485754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.485754 (E_RNA) where: Base-Base interactions energy: -841.471 where: short stacking energy: -331.568 Base-Backbone interact. energy: -0.927 local terms energy: -356.087788 where: bonds (distance) C4'-P energy: -60.036 bonds (distance) P-C4' energy: -69.155 flat angles C4'-P-C4' energy: -76.922 flat angles P-C4'-P energy: -49.035 tors. eta vs tors. theta energy: -100.939 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: 207 Temperature: 1.100000 Total energy: -1154.299316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.299316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.299316 (E_RNA) where: Base-Base interactions energy: -775.489 where: short stacking energy: -350.798 Base-Backbone interact. energy: -0.085 local terms energy: -378.725045 where: bonds (distance) C4'-P energy: -64.020 bonds (distance) P-C4' energy: -74.148 flat angles C4'-P-C4' energy: -81.812 flat angles P-C4'-P energy: -52.959 tors. eta vs tors. theta energy: -105.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1083.479328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.479328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.479328 (E_RNA) where: Base-Base interactions energy: -733.405 where: short stacking energy: -333.783 Base-Backbone interact. energy: 1.089 local terms energy: -351.163791 where: bonds (distance) C4'-P energy: -68.286 bonds (distance) P-C4' energy: -71.331 flat angles C4'-P-C4' energy: -71.603 flat angles P-C4'-P energy: -45.103 tors. eta vs tors. theta energy: -94.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -860.379339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.379339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.379339 (E_RNA) where: Base-Base interactions energy: -557.798 where: short stacking energy: -248.395 Base-Backbone interact. energy: -2.605 local terms energy: -299.975841 where: bonds (distance) C4'-P energy: -60.591 bonds (distance) P-C4' energy: -73.561 flat angles C4'-P-C4' energy: -69.904 flat angles P-C4'-P energy: -42.152 tors. eta vs tors. theta energy: -53.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -831.666482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.666482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.666482 (E_RNA) where: Base-Base interactions energy: -531.605 where: short stacking energy: -251.373 Base-Backbone interact. energy: -1.678 local terms energy: -298.383788 where: bonds (distance) C4'-P energy: -60.206 bonds (distance) P-C4' energy: -76.585 flat angles C4'-P-C4' energy: -63.331 flat angles P-C4'-P energy: -43.497 tors. eta vs tors. theta energy: -54.765 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: 9, replica: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -424.083322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.083322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.083322 (E_RNA) where: Base-Base interactions energy: -183.860 where: short stacking energy: -137.008 Base-Backbone interact. energy: 1.685 local terms energy: -241.907819 where: bonds (distance) C4'-P energy: -68.789 bonds (distance) P-C4' energy: -73.613 flat angles C4'-P-C4' energy: -72.246 flat angles P-C4'-P energy: -28.970 tors. eta vs tors. theta energy: 1.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -380.037833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.037833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.037833 (E_RNA) where: Base-Base interactions energy: -159.682 where: short stacking energy: -110.424 Base-Backbone interact. energy: -0.474 local terms energy: -219.882562 where: bonds (distance) C4'-P energy: -55.284 bonds (distance) P-C4' energy: -65.869 flat angles C4'-P-C4' energy: -67.475 flat angles P-C4'-P energy: -29.317 tors. eta vs tors. theta energy: -1.938 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: 3 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1364.995901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.995901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.995901 (E_RNA) where: Base-Base interactions energy: -943.233 where: short stacking energy: -411.170 Base-Backbone interact. energy: -1.554 local terms energy: -420.208896 where: bonds (distance) C4'-P energy: -76.760 bonds (distance) P-C4' energy: -84.988 flat angles C4'-P-C4' energy: -88.725 flat angles P-C4'-P energy: -52.948 tors. eta vs tors. theta energy: -116.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1303.993442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.993442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.993442 (E_RNA) where: Base-Base interactions energy: -898.309 where: short stacking energy: -370.396 Base-Backbone interact. energy: -2.559 local terms energy: -403.125683 where: bonds (distance) C4'-P energy: -62.313 bonds (distance) P-C4' energy: -81.519 flat angles C4'-P-C4' energy: -93.241 flat angles P-C4'-P energy: -57.883 tors. eta vs tors. theta energy: -108.170 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: 4 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1257.020801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.020801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.020801 (E_RNA) where: Base-Base interactions energy: -850.951 where: short stacking energy: -367.125 Base-Backbone interact. energy: 0.148 local terms energy: -406.217986 where: bonds (distance) C4'-P energy: -83.525 bonds (distance) P-C4' energy: -80.184 flat angles C4'-P-C4' energy: -75.422 flat angles P-C4'-P energy: -57.351 tors. eta vs tors. theta energy: -109.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1190.183276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.183276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.183276 (E_RNA) where: Base-Base interactions energy: -839.229 where: short stacking energy: -362.616 Base-Backbone interact. energy: 3.472 local terms energy: -354.426190 where: bonds (distance) C4'-P energy: -65.872 bonds (distance) P-C4' energy: -58.856 flat angles C4'-P-C4' energy: -82.627 flat angles P-C4'-P energy: -44.535 tors. eta vs tors. theta energy: -102.536 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: 7 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1179.618841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.618841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.618841 (E_RNA) where: Base-Base interactions energy: -786.944 where: short stacking energy: -371.111 Base-Backbone interact. energy: 0.112 local terms energy: -392.786917 where: bonds (distance) C4'-P energy: -61.779 bonds (distance) P-C4' energy: -80.190 flat angles C4'-P-C4' energy: -78.995 flat angles P-C4'-P energy: -63.073 tors. eta vs tors. theta energy: -108.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1051.335413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.335413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.335413 (E_RNA) where: Base-Base interactions energy: -702.006 where: short stacking energy: -321.387 Base-Backbone interact. energy: -0.911 local terms energy: -348.417852 where: bonds (distance) C4'-P energy: -56.443 bonds (distance) P-C4' energy: -77.763 flat angles C4'-P-C4' energy: -75.333 flat angles P-C4'-P energy: -49.160 tors. eta vs tors. theta energy: -89.719 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: 10 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -852.954225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.954225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.954225 (E_RNA) where: Base-Base interactions energy: -546.329 where: short stacking energy: -246.823 Base-Backbone interact. energy: -1.283 local terms energy: -305.342339 where: bonds (distance) C4'-P energy: -62.796 bonds (distance) P-C4' energy: -72.060 flat angles C4'-P-C4' energy: -65.900 flat angles P-C4'-P energy: -50.191 tors. eta vs tors. theta energy: -54.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -801.567666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.567666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.567666 (E_RNA) where: Base-Base interactions energy: -511.463 where: short stacking energy: -257.519 Base-Backbone interact. energy: 0.223 local terms energy: -290.327604 where: bonds (distance) C4'-P energy: -55.719 bonds (distance) P-C4' energy: -80.199 flat angles C4'-P-C4' energy: -56.645 flat angles P-C4'-P energy: -46.086 tors. eta vs tors. theta energy: -51.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -381.710457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.710457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.710457 (E_RNA) where: Base-Base interactions energy: -167.015 where: short stacking energy: -126.589 Base-Backbone interact. energy: 0.297 local terms energy: -214.993247 where: bonds (distance) C4'-P energy: -68.486 bonds (distance) P-C4' energy: -71.540 flat angles C4'-P-C4' energy: -54.158 flat angles P-C4'-P energy: -22.009 tors. eta vs tors. theta energy: 1.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -345.685725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.685725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.685725 (E_RNA) where: Base-Base interactions energy: -129.119 where: short stacking energy: -106.456 Base-Backbone interact. energy: -1.023 local terms energy: -215.544087 where: bonds (distance) C4'-P energy: -64.359 bonds (distance) P-C4' energy: -67.009 flat angles C4'-P-C4' energy: -54.799 flat angles P-C4'-P energy: -28.752 tors. eta vs tors. theta energy: -0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1344.554098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.554098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.554098 (E_RNA) where: Base-Base interactions energy: -929.602 where: short stacking energy: -395.602 Base-Backbone interact. energy: -1.449 local terms energy: -413.502326 where: bonds (distance) C4'-P energy: -77.460 bonds (distance) P-C4' energy: -79.910 flat angles C4'-P-C4' energy: -85.455 flat angles P-C4'-P energy: -58.901 tors. eta vs tors. theta energy: -111.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1320.301292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.301292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.301292 (E_RNA) where: Base-Base interactions energy: -925.059 where: short stacking energy: -363.236 Base-Backbone interact. energy: -2.493 local terms energy: -392.749900 where: bonds (distance) C4'-P energy: -62.439 bonds (distance) P-C4' energy: -74.758 flat angles C4'-P-C4' energy: -90.763 flat angles P-C4'-P energy: -56.161 tors. eta vs tors. theta energy: -108.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1247.026865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.026865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.026865 (E_RNA) where: Base-Base interactions energy: -852.695 where: short stacking energy: -381.694 Base-Backbone interact. energy: -0.887 local terms energy: -393.444826 where: bonds (distance) C4'-P energy: -65.195 bonds (distance) P-C4' energy: -73.876 flat angles C4'-P-C4' energy: -88.022 flat angles P-C4'-P energy: -58.438 tors. eta vs tors. theta energy: -107.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1185.990510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.990510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.990510 (E_RNA) where: Base-Base interactions energy: -799.474 where: short stacking energy: -375.362 Base-Backbone interact. energy: 1.138 local terms energy: -387.653804 where: bonds (distance) C4'-P energy: -66.554 bonds (distance) P-C4' energy: -69.178 flat angles C4'-P-C4' energy: -85.625 flat angles P-C4'-P energy: -50.995 tors. eta vs tors. theta energy: -115.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1149.557875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.557875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.557875 (E_RNA) where: Base-Base interactions energy: -781.608 where: short stacking energy: -342.076 Base-Backbone interact. energy: -2.725 local terms energy: -365.224379 where: bonds (distance) C4'-P energy: -75.114 bonds (distance) P-C4' energy: -65.792 flat angles C4'-P-C4' energy: -81.520 flat angles P-C4'-P energy: -49.685 tors. eta vs tors. theta energy: -93.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1128.574039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.574039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.574039 (E_RNA) where: Base-Base interactions energy: -773.732 where: short stacking energy: -339.218 Base-Backbone interact. energy: 0.644 local terms energy: -355.485446 where: bonds (distance) C4'-P energy: -69.995 bonds (distance) P-C4' energy: -60.823 flat angles C4'-P-C4' energy: -72.280 flat angles P-C4'-P energy: -48.539 tors. eta vs tors. theta energy: -103.849 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: 10 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -867.202690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.202690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.202690 (E_RNA) where: Base-Base interactions energy: -556.013 where: short stacking energy: -258.080 Base-Backbone interact. energy: -1.378 local terms energy: -309.812235 where: bonds (distance) C4'-P energy: -65.519 bonds (distance) P-C4' energy: -59.547 flat angles C4'-P-C4' energy: -77.591 flat angles P-C4'-P energy: -41.855 tors. eta vs tors. theta energy: -65.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -832.763566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.763566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.763566 (E_RNA) where: Base-Base interactions energy: -524.476 where: short stacking energy: -245.958 Base-Backbone interact. energy: 0.605 local terms energy: -308.891925 where: bonds (distance) C4'-P energy: -62.719 bonds (distance) P-C4' energy: -70.854 flat angles C4'-P-C4' energy: -76.079 flat angles P-C4'-P energy: -37.233 tors. eta vs tors. theta energy: -62.007 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: 5 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -404.399281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.399281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.399281 (E_RNA) where: Base-Base interactions energy: -176.268 where: short stacking energy: -118.438 Base-Backbone interact. energy: -1.592 local terms energy: -226.539400 where: bonds (distance) C4'-P energy: -61.877 bonds (distance) P-C4' energy: -61.088 flat angles C4'-P-C4' energy: -69.567 flat angles P-C4'-P energy: -39.970 tors. eta vs tors. theta energy: 5.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -318.426906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.426906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.426906 (E_RNA) where: Base-Base interactions energy: -113.086 where: short stacking energy: -100.269 Base-Backbone interact. energy: -1.455 local terms energy: -203.886658 where: bonds (distance) C4'-P energy: -47.624 bonds (distance) P-C4' energy: -60.960 flat angles C4'-P-C4' energy: -63.097 flat angles P-C4'-P energy: -30.956 tors. eta vs tors. theta energy: -1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1368.445492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.445492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.445492 (E_RNA) where: Base-Base interactions energy: -953.292 where: short stacking energy: -409.536 Base-Backbone interact. energy: -0.527 local terms energy: -414.627216 where: bonds (distance) C4'-P energy: -79.101 bonds (distance) P-C4' energy: -74.320 flat angles C4'-P-C4' energy: -86.355 flat angles P-C4'-P energy: -57.148 tors. eta vs tors. theta energy: -117.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1342.032500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.032500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.032500 (E_RNA) where: Base-Base interactions energy: -932.057 where: short stacking energy: -385.377 Base-Backbone interact. energy: -1.182 local terms energy: -408.792826 where: bonds (distance) C4'-P energy: -74.386 bonds (distance) P-C4' energy: -76.736 flat angles C4'-P-C4' energy: -84.520 flat angles P-C4'-P energy: -58.789 tors. eta vs tors. theta energy: -114.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1263.730989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.730989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.730989 (E_RNA) where: Base-Base interactions energy: -867.781 where: short stacking energy: -382.070 Base-Backbone interact. energy: -1.104 local terms energy: -394.845481 where: bonds (distance) C4'-P energy: -67.910 bonds (distance) P-C4' energy: -71.651 flat angles C4'-P-C4' energy: -87.348 flat angles P-C4'-P energy: -58.950 tors. eta vs tors. theta energy: -108.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1171.397928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.397928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.397928 (E_RNA) where: Base-Base interactions energy: -782.683 where: short stacking energy: -353.243 Base-Backbone interact. energy: -1.118 local terms energy: -387.597518 where: bonds (distance) C4'-P energy: -66.826 bonds (distance) P-C4' energy: -61.836 flat angles C4'-P-C4' energy: -88.456 flat angles P-C4'-P energy: -60.532 tors. eta vs tors. theta energy: -109.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1181.148703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.148703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.148703 (E_RNA) where: Base-Base interactions energy: -814.571 where: short stacking energy: -350.079 Base-Backbone interact. energy: -2.187 local terms energy: -364.390453 where: bonds (distance) C4'-P energy: -69.805 bonds (distance) P-C4' energy: -74.087 flat angles C4'-P-C4' energy: -75.801 flat angles P-C4'-P energy: -47.339 tors. eta vs tors. theta energy: -97.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1072.543799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.543799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.543799 (E_RNA) where: Base-Base interactions energy: -726.297 where: short stacking energy: -312.484 Base-Backbone interact. energy: -0.378 local terms energy: -345.868186 where: bonds (distance) C4'-P energy: -67.962 bonds (distance) P-C4' energy: -60.991 flat angles C4'-P-C4' energy: -86.908 flat angles P-C4'-P energy: -44.051 tors. eta vs tors. theta energy: -85.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -892.474304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.474304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.474304 (E_RNA) where: Base-Base interactions energy: -570.300 where: short stacking energy: -270.195 Base-Backbone interact. energy: -3.960 local terms energy: -318.214499 where: bonds (distance) C4'-P energy: -67.375 bonds (distance) P-C4' energy: -75.282 flat angles C4'-P-C4' energy: -71.482 flat angles P-C4'-P energy: -47.369 tors. eta vs tors. theta energy: -56.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -818.354331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.354331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.354331 (E_RNA) where: Base-Base interactions energy: -504.344 where: short stacking energy: -245.065 Base-Backbone interact. energy: -0.527 local terms energy: -313.483514 where: bonds (distance) C4'-P energy: -59.361 bonds (distance) P-C4' energy: -69.917 flat angles C4'-P-C4' energy: -79.354 flat angles P-C4'-P energy: -46.616 tors. eta vs tors. theta energy: -58.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -428.084098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.084098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.084098 (E_RNA) where: Base-Base interactions energy: -187.939 where: short stacking energy: -128.741 Base-Backbone interact. energy: 1.059 local terms energy: -241.204187 where: bonds (distance) C4'-P energy: -49.959 bonds (distance) P-C4' energy: -75.552 flat angles C4'-P-C4' energy: -59.029 flat angles P-C4'-P energy: -42.037 tors. eta vs tors. theta energy: -14.628 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: 1 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -320.323989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.323989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.323989 (E_RNA) where: Base-Base interactions energy: -128.700 where: short stacking energy: -112.116 Base-Backbone interact. energy: -0.231 local terms energy: -191.393386 where: bonds (distance) C4'-P energy: -49.179 bonds (distance) P-C4' energy: -58.357 flat angles C4'-P-C4' energy: -53.380 flat angles P-C4'-P energy: -39.561 tors. eta vs tors. theta energy: 9.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1356.211459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.211459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.211459 (E_RNA) where: Base-Base interactions energy: -933.821 where: short stacking energy: -407.944 Base-Backbone interact. energy: -1.780 local terms energy: -420.610131 where: bonds (distance) C4'-P energy: -84.318 bonds (distance) P-C4' energy: -72.431 flat angles C4'-P-C4' energy: -86.476 flat angles P-C4'-P energy: -63.983 tors. eta vs tors. theta energy: -113.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1337.773580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.773580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.773580 (E_RNA) where: Base-Base interactions energy: -921.434 where: short stacking energy: -388.200 Base-Backbone interact. energy: -1.764 local terms energy: -414.574718 where: bonds (distance) C4'-P energy: -70.616 bonds (distance) P-C4' energy: -79.062 flat angles C4'-P-C4' energy: -94.502 flat angles P-C4'-P energy: -56.148 tors. eta vs tors. theta energy: -114.247 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: 3, replica: 4 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1253.408072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.408072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.408072 (E_RNA) where: Base-Base interactions energy: -871.002 where: short stacking energy: -382.808 Base-Backbone interact. energy: 0.471 local terms energy: -382.876688 where: bonds (distance) C4'-P energy: -63.913 bonds (distance) P-C4' energy: -75.544 flat angles C4'-P-C4' energy: -78.763 flat angles P-C4'-P energy: -53.140 tors. eta vs tors. theta energy: -111.517 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: 7 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1156.262388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.262388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.262388 (E_RNA) where: Base-Base interactions energy: -770.903 where: short stacking energy: -345.946 Base-Backbone interact. energy: -0.157 local terms energy: -385.202268 where: bonds (distance) C4'-P energy: -77.930 bonds (distance) P-C4' energy: -70.284 flat angles C4'-P-C4' energy: -81.657 flat angles P-C4'-P energy: -50.621 tors. eta vs tors. theta energy: -104.711 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: 2 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1157.382325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.382325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.382325 (E_RNA) where: Base-Base interactions energy: -803.564 where: short stacking energy: -329.986 Base-Backbone interact. energy: -2.253 local terms energy: -351.565250 where: bonds (distance) C4'-P energy: -56.738 bonds (distance) P-C4' energy: -80.430 flat angles C4'-P-C4' energy: -67.974 flat angles P-C4'-P energy: -46.410 tors. eta vs tors. theta energy: -100.012 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: 9 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1113.569414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.569414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.569414 (E_RNA) where: Base-Base interactions energy: -737.675 where: short stacking energy: -311.118 Base-Backbone interact. energy: -0.954 local terms energy: -374.940192 where: bonds (distance) C4'-P energy: -81.582 bonds (distance) P-C4' energy: -69.511 flat angles C4'-P-C4' energy: -76.702 flat angles P-C4'-P energy: -47.525 tors. eta vs tors. theta energy: -99.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -916.844743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.844743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.844743 (E_RNA) where: Base-Base interactions energy: -601.858 where: short stacking energy: -256.783 Base-Backbone interact. energy: -2.514 local terms energy: -312.473027 where: bonds (distance) C4'-P energy: -60.047 bonds (distance) P-C4' energy: -71.253 flat angles C4'-P-C4' energy: -77.738 flat angles P-C4'-P energy: -37.860 tors. eta vs tors. theta energy: -65.575 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: 8, replica: 6 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -849.645894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.645894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.645894 (E_RNA) where: Base-Base interactions energy: -531.979 where: short stacking energy: -241.154 Base-Backbone interact. energy: 1.000 local terms energy: -318.666529 where: bonds (distance) C4'-P energy: -81.011 bonds (distance) P-C4' energy: -74.238 flat angles C4'-P-C4' energy: -64.896 flat angles P-C4'-P energy: -43.193 tors. eta vs tors. theta energy: -55.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -439.452923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.452923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.452923 (E_RNA) where: Base-Base interactions energy: -190.178 where: short stacking energy: -147.620 Base-Backbone interact. energy: 0.635 local terms energy: -249.909593 where: bonds (distance) C4'-P energy: -61.119 bonds (distance) P-C4' energy: -65.241 flat angles C4'-P-C4' energy: -58.515 flat angles P-C4'-P energy: -40.329 tors. eta vs tors. theta energy: -24.705 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: 1 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -337.202014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.202014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.202014 (E_RNA) where: Base-Base interactions energy: -140.757 where: short stacking energy: -120.270 Base-Backbone interact. energy: -1.188 local terms energy: -195.256561 where: bonds (distance) C4'-P energy: -54.597 bonds (distance) P-C4' energy: -66.038 flat angles C4'-P-C4' energy: -52.174 flat angles P-C4'-P energy: -29.594 tors. eta vs tors. theta energy: 7.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1380.823014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.823014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.823014 (E_RNA) where: Base-Base interactions energy: -950.444 where: short stacking energy: -432.310 Base-Backbone interact. energy: -1.273 local terms energy: -429.106309 where: bonds (distance) C4'-P energy: -76.396 bonds (distance) P-C4' energy: -80.067 flat angles C4'-P-C4' energy: -84.030 flat angles P-C4'-P energy: -64.125 tors. eta vs tors. theta energy: -124.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1328.957106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.957106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.957106 (E_RNA) where: Base-Base interactions energy: -915.230 where: short stacking energy: -398.813 Base-Backbone interact. energy: -2.297 local terms energy: -411.430001 where: bonds (distance) C4'-P energy: -72.584 bonds (distance) P-C4' energy: -76.499 flat angles C4'-P-C4' energy: -91.995 flat angles P-C4'-P energy: -59.096 tors. eta vs tors. theta energy: -111.256 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: 3, replica: 4 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1267.676165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.676165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.676165 (E_RNA) where: Base-Base interactions energy: -868.505 where: short stacking energy: -385.712 Base-Backbone interact. energy: 2.372 local terms energy: -401.543343 where: bonds (distance) C4'-P energy: -78.282 bonds (distance) P-C4' energy: -80.196 flat angles C4'-P-C4' energy: -80.878 flat angles P-C4'-P energy: -55.277 tors. eta vs tors. theta energy: -106.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1164.284653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.284653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.284653 (E_RNA) where: Base-Base interactions energy: -799.283 where: short stacking energy: -378.355 Base-Backbone interact. energy: -1.422 local terms energy: -363.579140 where: bonds (distance) C4'-P energy: -70.116 bonds (distance) P-C4' energy: -65.891 flat angles C4'-P-C4' energy: -75.844 flat angles P-C4'-P energy: -51.597 tors. eta vs tors. theta energy: -100.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1120.786332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.786332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.786332 (E_RNA) where: Base-Base interactions energy: -782.975 where: short stacking energy: -309.696 Base-Backbone interact. energy: -2.002 local terms energy: -335.810294 where: bonds (distance) C4'-P energy: -60.977 bonds (distance) P-C4' energy: -77.513 flat angles C4'-P-C4' energy: -68.145 flat angles P-C4'-P energy: -48.332 tors. eta vs tors. theta energy: -80.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1096.648173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.648173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.648173 (E_RNA) where: Base-Base interactions energy: -747.656 where: short stacking energy: -332.152 Base-Backbone interact. energy: -2.829 local terms energy: -346.163806 where: bonds (distance) C4'-P energy: -62.724 bonds (distance) P-C4' energy: -59.908 flat angles C4'-P-C4' energy: -71.531 flat angles P-C4'-P energy: -54.303 tors. eta vs tors. theta energy: -97.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -892.430179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.430179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.430179 (E_RNA) where: Base-Base interactions energy: -572.262 where: short stacking energy: -277.805 Base-Backbone interact. energy: -2.618 local terms energy: -317.550370 where: bonds (distance) C4'-P energy: -70.148 bonds (distance) P-C4' energy: -63.012 flat angles C4'-P-C4' energy: -73.074 flat angles P-C4'-P energy: -40.541 tors. eta vs tors. theta energy: -70.776 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: 6 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -826.239072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.239072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.239072 (E_RNA) where: Base-Base interactions energy: -505.729 where: short stacking energy: -239.313 Base-Backbone interact. energy: 0.079 local terms energy: -320.588646 where: bonds (distance) C4'-P energy: -66.288 bonds (distance) P-C4' energy: -67.346 flat angles C4'-P-C4' energy: -72.341 flat angles P-C4'-P energy: -56.797 tors. eta vs tors. theta energy: -57.817 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: 5 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -404.642242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.642242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.642242 (E_RNA) where: Base-Base interactions energy: -171.561 where: short stacking energy: -106.929 Base-Backbone interact. energy: 0.251 local terms energy: -233.332016 where: bonds (distance) C4'-P energy: -56.348 bonds (distance) P-C4' energy: -64.831 flat angles C4'-P-C4' energy: -64.734 flat angles P-C4'-P energy: -46.040 tors. eta vs tors. theta energy: -1.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -334.525425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.525425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.525425 (E_RNA) where: Base-Base interactions energy: -139.069 where: short stacking energy: -93.639 Base-Backbone interact. energy: -1.664 local terms energy: -193.792704 where: bonds (distance) C4'-P energy: -52.945 bonds (distance) P-C4' energy: -63.799 flat angles C4'-P-C4' energy: -48.000 flat angles P-C4'-P energy: -43.513 tors. eta vs tors. theta energy: 14.464 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: 213 Temperature: 0.900000 Total energy: -1368.989708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.989708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.989708 (E_RNA) where: Base-Base interactions energy: -945.721 where: short stacking energy: -428.434 Base-Backbone interact. energy: -0.930 local terms energy: -422.338843 where: bonds (distance) C4'-P energy: -69.788 bonds (distance) P-C4' energy: -74.297 flat angles C4'-P-C4' energy: -89.136 flat angles P-C4'-P energy: -64.643 tors. eta vs tors. theta energy: -124.475 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: 8 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1319.601691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.601691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.601691 (E_RNA) where: Base-Base interactions energy: -914.066 where: short stacking energy: -388.114 Base-Backbone interact. energy: -2.345 local terms energy: -403.191049 where: bonds (distance) C4'-P energy: -75.239 bonds (distance) P-C4' energy: -77.911 flat angles C4'-P-C4' energy: -80.491 flat angles P-C4'-P energy: -50.840 tors. eta vs tors. theta energy: -118.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1295.522655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.522655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.522655 (E_RNA) where: Base-Base interactions energy: -887.311 where: short stacking energy: -395.518 Base-Backbone interact. energy: 0.514 local terms energy: -408.724896 where: bonds (distance) C4'-P energy: -71.715 bonds (distance) P-C4' energy: -76.802 flat angles C4'-P-C4' energy: -84.283 flat angles P-C4'-P energy: -61.448 tors. eta vs tors. theta energy: -114.477 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: 4, replica: 7 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1192.930580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.930580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.930580 (E_RNA) where: Base-Base interactions energy: -771.298 where: short stacking energy: -365.302 Base-Backbone interact. energy: 0.298 local terms energy: -421.930983 where: bonds (distance) C4'-P energy: -70.955 bonds (distance) P-C4' energy: -84.693 flat angles C4'-P-C4' energy: -96.337 flat angles P-C4'-P energy: -57.640 tors. eta vs tors. theta energy: -112.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1108.990288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.990288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.990288 (E_RNA) where: Base-Base interactions energy: -730.119 where: short stacking energy: -317.889 Base-Backbone interact. energy: -1.597 local terms energy: -377.274473 where: bonds (distance) C4'-P energy: -76.896 bonds (distance) P-C4' energy: -71.526 flat angles C4'-P-C4' energy: -80.320 flat angles P-C4'-P energy: -54.587 tors. eta vs tors. theta energy: -93.945 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: 2 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1118.392623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.392623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.392623 (E_RNA) where: Base-Base interactions energy: -782.535 where: short stacking energy: -324.908 Base-Backbone interact. energy: -0.632 local terms energy: -335.225238 where: bonds (distance) C4'-P energy: -70.785 bonds (distance) P-C4' energy: -59.072 flat angles C4'-P-C4' energy: -76.565 flat angles P-C4'-P energy: -45.960 tors. eta vs tors. theta energy: -82.843 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: 10 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -892.975355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.975355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.975355 (E_RNA) where: Base-Base interactions energy: -586.838 where: short stacking energy: -252.336 Base-Backbone interact. energy: -0.043 local terms energy: -306.094114 where: bonds (distance) C4'-P energy: -65.353 bonds (distance) P-C4' energy: -75.164 flat angles C4'-P-C4' energy: -61.957 flat angles P-C4'-P energy: -41.009 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: 6 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -824.938837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.938837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.938837 (E_RNA) where: Base-Base interactions energy: -521.077 where: short stacking energy: -236.584 Base-Backbone interact. energy: 3.263 local terms energy: -307.124102 where: bonds (distance) C4'-P energy: -65.938 bonds (distance) P-C4' energy: -67.551 flat angles C4'-P-C4' energy: -69.599 flat angles P-C4'-P energy: -47.950 tors. eta vs tors. theta energy: -56.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -411.699138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.699138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.699138 (E_RNA) where: Base-Base interactions energy: -188.377 where: short stacking energy: -120.065 Base-Backbone interact. energy: 0.021 local terms energy: -223.343292 where: bonds (distance) C4'-P energy: -45.633 bonds (distance) P-C4' energy: -71.795 flat angles C4'-P-C4' energy: -63.126 flat angles P-C4'-P energy: -42.564 tors. eta vs tors. theta energy: -0.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -306.779075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.779075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.779075 (E_RNA) where: Base-Base interactions energy: -86.360 where: short stacking energy: -75.310 Base-Backbone interact. energy: -1.401 local terms energy: -219.017911 where: bonds (distance) C4'-P energy: -69.312 bonds (distance) P-C4' energy: -83.221 flat angles C4'-P-C4' energy: -50.209 flat angles P-C4'-P energy: -38.296 tors. eta vs tors. theta energy: 22.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1355.705062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.705062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.705062 (E_RNA) where: Base-Base interactions energy: -918.934 where: short stacking energy: -410.458 Base-Backbone interact. energy: -1.919 local terms energy: -434.852801 where: bonds (distance) C4'-P energy: -79.913 bonds (distance) P-C4' energy: -84.851 flat angles C4'-P-C4' energy: -87.700 flat angles P-C4'-P energy: -60.141 tors. eta vs tors. theta energy: -122.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1340.710525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.710525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.710525 (E_RNA) where: Base-Base interactions energy: -933.294 where: short stacking energy: -423.650 Base-Backbone interact. energy: -1.221 local terms energy: -406.194956 where: bonds (distance) C4'-P energy: -66.353 bonds (distance) P-C4' energy: -78.001 flat angles C4'-P-C4' energy: -84.740 flat angles P-C4'-P energy: -57.964 tors. eta vs tors. theta energy: -119.138 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: 3, replica: 4 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1285.502821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.502821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.502821 (E_RNA) where: Base-Base interactions energy: -892.533 where: short stacking energy: -397.071 Base-Backbone interact. energy: -0.938 local terms energy: -392.031990 where: bonds (distance) C4'-P energy: -66.700 bonds (distance) P-C4' energy: -65.606 flat angles C4'-P-C4' energy: -91.113 flat angles P-C4'-P energy: -53.757 tors. eta vs tors. theta energy: -114.855 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: 7 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1164.949039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.949039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.949039 (E_RNA) where: Base-Base interactions energy: -764.244 where: short stacking energy: -361.592 Base-Backbone interact. energy: 0.428 local terms energy: -401.133002 where: bonds (distance) C4'-P energy: -78.914 bonds (distance) P-C4' energy: -71.376 flat angles C4'-P-C4' energy: -86.430 flat angles P-C4'-P energy: -58.726 tors. eta vs tors. theta energy: -105.688 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: 5, replica: 2 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1126.240870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.240870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.240870 (E_RNA) where: Base-Base interactions energy: -762.504 where: short stacking energy: -355.751 Base-Backbone interact. energy: -0.325 local terms energy: -363.411925 where: bonds (distance) C4'-P energy: -71.125 bonds (distance) P-C4' energy: -67.058 flat angles C4'-P-C4' energy: -84.999 flat angles P-C4'-P energy: -43.261 tors. eta vs tors. theta energy: -96.969 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: 6, replica: 9 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1093.149611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.149611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.149611 (E_RNA) where: Base-Base interactions energy: -734.025 where: short stacking energy: -309.438 Base-Backbone interact. energy: -1.907 local terms energy: -357.218292 where: bonds (distance) C4'-P energy: -62.824 bonds (distance) P-C4' energy: -69.567 flat angles C4'-P-C4' energy: -82.004 flat angles P-C4'-P energy: -52.873 tors. eta vs tors. theta energy: -89.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -872.084936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.084936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.084936 (E_RNA) where: Base-Base interactions energy: -543.525 where: short stacking energy: -256.194 Base-Backbone interact. energy: -2.387 local terms energy: -326.172984 where: bonds (distance) C4'-P energy: -78.327 bonds (distance) P-C4' energy: -75.521 flat angles C4'-P-C4' energy: -70.098 flat angles P-C4'-P energy: -49.426 tors. eta vs tors. theta energy: -52.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -826.346972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.346972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.346972 (E_RNA) where: Base-Base interactions energy: -512.375 where: short stacking energy: -253.533 Base-Backbone interact. energy: -0.534 local terms energy: -313.438323 where: bonds (distance) C4'-P energy: -42.849 bonds (distance) P-C4' energy: -71.405 flat angles C4'-P-C4' energy: -73.222 flat angles P-C4'-P energy: -54.442 tors. eta vs tors. theta energy: -71.520 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: 9, replica: 5 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -430.638159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.638159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.638159 (E_RNA) where: Base-Base interactions energy: -197.258 where: short stacking energy: -116.493 Base-Backbone interact. energy: 1.646 local terms energy: -235.026327 where: bonds (distance) C4'-P energy: -66.321 bonds (distance) P-C4' energy: -68.638 flat angles C4'-P-C4' energy: -68.512 flat angles P-C4'-P energy: -41.412 tors. eta vs tors. theta energy: 9.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -309.889632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.889632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.889632 (E_RNA) where: Base-Base interactions energy: -107.986 where: short stacking energy: -91.566 Base-Backbone interact. energy: 1.899 local terms energy: -203.802033 where: bonds (distance) C4'-P energy: -73.120 bonds (distance) P-C4' energy: -71.293 flat angles C4'-P-C4' energy: -50.391 flat angles P-C4'-P energy: -27.860 tors. eta vs tors. theta energy: 18.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1347.524911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.524911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.524911 (E_RNA) where: Base-Base interactions energy: -946.792 where: short stacking energy: -394.145 Base-Backbone interact. energy: -0.382 local terms energy: -400.351230 where: bonds (distance) C4'-P energy: -73.806 bonds (distance) P-C4' energy: -71.925 flat angles C4'-P-C4' energy: -84.995 flat angles P-C4'-P energy: -52.635 tors. eta vs tors. theta energy: -116.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1310.537297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.537297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.537297 (E_RNA) where: Base-Base interactions energy: -905.214 where: short stacking energy: -409.733 Base-Backbone interact. energy: 0.332 local terms energy: -405.655932 where: bonds (distance) C4'-P energy: -66.876 bonds (distance) P-C4' energy: -75.819 flat angles C4'-P-C4' energy: -85.216 flat angles P-C4'-P energy: -56.323 tors. eta vs tors. theta energy: -121.422 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: 4 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1279.867304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.867304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.867304 (E_RNA) where: Base-Base interactions energy: -871.669 where: short stacking energy: -392.964 Base-Backbone interact. energy: 1.080 local terms energy: -409.277765 where: bonds (distance) C4'-P energy: -79.761 bonds (distance) P-C4' energy: -69.946 flat angles C4'-P-C4' energy: -87.916 flat angles P-C4'-P energy: -49.431 tors. eta vs tors. theta energy: -122.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1185.500454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.500454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.500454 (E_RNA) where: Base-Base interactions energy: -787.729 where: short stacking energy: -368.895 Base-Backbone interact. energy: 0.919 local terms energy: -398.690592 where: bonds (distance) C4'-P energy: -80.746 bonds (distance) P-C4' energy: -69.745 flat angles C4'-P-C4' energy: -87.984 flat angles P-C4'-P energy: -52.823 tors. eta vs tors. theta energy: -107.392 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: 2 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1154.575271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.575271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.575271 (E_RNA) where: Base-Base interactions energy: -779.312 where: short stacking energy: -330.734 Base-Backbone interact. energy: -2.565 local terms energy: -372.698413 where: bonds (distance) C4'-P energy: -79.619 bonds (distance) P-C4' energy: -72.889 flat angles C4'-P-C4' energy: -76.480 flat angles P-C4'-P energy: -54.214 tors. eta vs tors. theta energy: -89.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1035.810594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.810594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.810594 (E_RNA) where: Base-Base interactions energy: -687.416 where: short stacking energy: -298.916 Base-Backbone interact. energy: -1.713 local terms energy: -346.681447 where: bonds (distance) C4'-P energy: -64.278 bonds (distance) P-C4' energy: -80.288 flat angles C4'-P-C4' energy: -74.581 flat angles P-C4'-P energy: -43.094 tors. eta vs tors. theta energy: -84.441 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: 10 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -849.332890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.332890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.332890 (E_RNA) where: Base-Base interactions energy: -546.295 where: short stacking energy: -239.022 Base-Backbone interact. energy: -3.573 local terms energy: -299.464638 where: bonds (distance) C4'-P energy: -64.596 bonds (distance) P-C4' energy: -66.255 flat angles C4'-P-C4' energy: -76.627 flat angles P-C4'-P energy: -41.419 tors. eta vs tors. theta energy: -50.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -821.829067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.829067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.829067 (E_RNA) where: Base-Base interactions energy: -524.654 where: short stacking energy: -243.023 Base-Backbone interact. energy: 1.651 local terms energy: -298.825786 where: bonds (distance) C4'-P energy: -66.295 bonds (distance) P-C4' energy: -64.219 flat angles C4'-P-C4' energy: -66.564 flat angles P-C4'-P energy: -37.954 tors. eta vs tors. theta energy: -63.794 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: 5 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -408.231937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.231937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.231937 (E_RNA) where: Base-Base interactions energy: -196.853 where: short stacking energy: -128.337 Base-Backbone interact. energy: 3.225 local terms energy: -214.604353 where: bonds (distance) C4'-P energy: -58.617 bonds (distance) P-C4' energy: -67.942 flat angles C4'-P-C4' energy: -52.004 flat angles P-C4'-P energy: -28.924 tors. eta vs tors. theta energy: -7.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -346.853868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.853868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.853868 (E_RNA) where: Base-Base interactions energy: -129.909 where: short stacking energy: -73.469 Base-Backbone interact. energy: -2.156 local terms energy: -214.788783 where: bonds (distance) C4'-P energy: -56.131 bonds (distance) P-C4' energy: -64.211 flat angles C4'-P-C4' energy: -64.495 flat angles P-C4'-P energy: -39.520 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: 8 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1354.061969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.061969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.061969 (E_RNA) where: Base-Base interactions energy: -927.408 where: short stacking energy: -384.138 Base-Backbone interact. energy: 1.525 local terms energy: -428.178328 where: bonds (distance) C4'-P energy: -83.898 bonds (distance) P-C4' energy: -77.716 flat angles C4'-P-C4' energy: -86.565 flat angles P-C4'-P energy: -60.258 tors. eta vs tors. theta energy: -119.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1330.646001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.646001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.646001 (E_RNA) where: Base-Base interactions energy: -923.875 where: short stacking energy: -402.456 Base-Backbone interact. energy: -2.249 local terms energy: -404.521900 where: bonds (distance) C4'-P energy: -63.587 bonds (distance) P-C4' energy: -84.548 flat angles C4'-P-C4' energy: -86.364 flat angles P-C4'-P energy: -54.067 tors. eta vs tors. theta energy: -115.956 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: 216 Temperature: 1.000000 Total energy: -1312.189717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.189717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.189717 (E_RNA) where: Base-Base interactions energy: -911.792 where: short stacking energy: -375.069 Base-Backbone interact. energy: 0.056 local terms energy: -400.454326 where: bonds (distance) C4'-P energy: -66.132 bonds (distance) P-C4' energy: -80.298 flat angles C4'-P-C4' energy: -91.305 flat angles P-C4'-P energy: -51.914 tors. eta vs tors. theta energy: -110.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1212.202000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.202000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.202000 (E_RNA) where: Base-Base interactions energy: -814.796 where: short stacking energy: -367.145 Base-Backbone interact. energy: -0.189 local terms energy: -397.217470 where: bonds (distance) C4'-P energy: -70.379 bonds (distance) P-C4' energy: -76.251 flat angles C4'-P-C4' energy: -96.325 flat angles P-C4'-P energy: -45.055 tors. eta vs tors. theta energy: -109.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1159.244968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.244968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.244968 (E_RNA) where: Base-Base interactions energy: -786.056 where: short stacking energy: -339.098 Base-Backbone interact. energy: 3.447 local terms energy: -376.636034 where: bonds (distance) C4'-P energy: -73.574 bonds (distance) P-C4' energy: -69.506 flat angles C4'-P-C4' energy: -84.606 flat angles P-C4'-P energy: -51.964 tors. eta vs tors. theta energy: -96.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1074.917386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.917386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.917386 (E_RNA) where: Base-Base interactions energy: -737.484 where: short stacking energy: -307.367 Base-Backbone interact. energy: -1.013 local terms energy: -336.419666 where: bonds (distance) C4'-P energy: -70.963 bonds (distance) P-C4' energy: -56.793 flat angles C4'-P-C4' energy: -76.332 flat angles P-C4'-P energy: -48.972 tors. eta vs tors. theta energy: -83.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -895.223373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.223373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.223373 (E_RNA) where: Base-Base interactions energy: -573.256 where: short stacking energy: -271.037 Base-Backbone interact. energy: -0.248 local terms energy: -321.719017 where: bonds (distance) C4'-P energy: -58.335 bonds (distance) P-C4' energy: -79.810 flat angles C4'-P-C4' energy: -77.056 flat angles P-C4'-P energy: -37.022 tors. eta vs tors. theta energy: -69.496 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: 6 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -866.256898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.256898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.256898 (E_RNA) where: Base-Base interactions energy: -545.312 where: short stacking energy: -262.579 Base-Backbone interact. energy: -2.394 local terms energy: -318.550812 where: bonds (distance) C4'-P energy: -70.052 bonds (distance) P-C4' energy: -54.956 flat angles C4'-P-C4' energy: -84.622 flat angles P-C4'-P energy: -42.226 tors. eta vs tors. theta energy: -66.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -414.287138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.287138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.287138 (E_RNA) where: Base-Base interactions energy: -190.559 where: short stacking energy: -126.197 Base-Backbone interact. energy: -0.798 local terms energy: -222.929752 where: bonds (distance) C4'-P energy: -53.463 bonds (distance) P-C4' energy: -63.271 flat angles C4'-P-C4' energy: -75.081 flat angles P-C4'-P energy: -32.851 tors. eta vs tors. theta energy: 1.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -351.730825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.730825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.730825 (E_RNA) where: Base-Base interactions energy: -154.874 where: short stacking energy: -103.055 Base-Backbone interact. energy: 0.882 local terms energy: -197.739200 where: bonds (distance) C4'-P energy: -66.526 bonds (distance) P-C4' energy: -67.333 flat angles C4'-P-C4' energy: -55.345 flat angles P-C4'-P energy: -35.775 tors. eta vs tors. theta energy: 27.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1365.793748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.793748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.793748 (E_RNA) where: Base-Base interactions energy: -931.809 where: short stacking energy: -403.866 Base-Backbone interact. energy: -1.155 local terms energy: -432.829387 where: bonds (distance) C4'-P energy: -73.898 bonds (distance) P-C4' energy: -83.036 flat angles C4'-P-C4' energy: -94.321 flat angles P-C4'-P energy: -56.705 tors. eta vs tors. theta energy: -124.869 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: 3 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1339.229692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.229692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.229692 (E_RNA) where: Base-Base interactions energy: -928.789 where: short stacking energy: -405.909 Base-Backbone interact. energy: 2.140 local terms energy: -412.580171 where: bonds (distance) C4'-P energy: -59.440 bonds (distance) P-C4' energy: -75.104 flat angles C4'-P-C4' energy: -87.224 flat angles P-C4'-P energy: -70.132 tors. eta vs tors. theta energy: -120.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1324.016227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.016227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.016227 (E_RNA) where: Base-Base interactions energy: -897.024 where: short stacking energy: -412.665 Base-Backbone interact. energy: -2.790 local terms energy: -424.202164 where: bonds (distance) C4'-P energy: -71.227 bonds (distance) P-C4' energy: -80.987 flat angles C4'-P-C4' energy: -84.989 flat angles P-C4'-P energy: -59.246 tors. eta vs tors. theta energy: -127.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1220.309730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.309730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.309730 (E_RNA) where: Base-Base interactions energy: -808.712 where: short stacking energy: -369.637 Base-Backbone interact. energy: -0.521 local terms energy: -411.077034 where: bonds (distance) C4'-P energy: -75.659 bonds (distance) P-C4' energy: -73.229 flat angles C4'-P-C4' energy: -94.637 flat angles P-C4'-P energy: -53.149 tors. eta vs tors. theta energy: -114.403 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: 217 Temperature: 1.100000 Total energy: -1163.982404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.982404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.982404 (E_RNA) where: Base-Base interactions energy: -795.669 where: short stacking energy: -315.626 Base-Backbone interact. energy: -2.189 local terms energy: -366.124410 where: bonds (distance) C4'-P energy: -65.328 bonds (distance) P-C4' energy: -77.283 flat angles C4'-P-C4' energy: -80.243 flat angles P-C4'-P energy: -60.358 tors. eta vs tors. theta energy: -82.912 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: 6, replica: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1050.399751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.399751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.399751 (E_RNA) where: Base-Base interactions energy: -696.361 where: short stacking energy: -311.592 Base-Backbone interact. energy: -0.611 local terms energy: -353.427661 where: bonds (distance) C4'-P energy: -59.218 bonds (distance) P-C4' energy: -76.871 flat angles C4'-P-C4' energy: -78.814 flat angles P-C4'-P energy: -49.344 tors. eta vs tors. theta energy: -89.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -884.734600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.734600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.734600 (E_RNA) where: Base-Base interactions energy: -584.633 where: short stacking energy: -262.947 Base-Backbone interact. energy: 0.847 local terms energy: -300.949094 where: bonds (distance) C4'-P energy: -70.149 bonds (distance) P-C4' energy: -67.348 flat angles C4'-P-C4' energy: -60.350 flat angles P-C4'-P energy: -46.778 tors. eta vs tors. theta energy: -56.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -826.863865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.863865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.863865 (E_RNA) where: Base-Base interactions energy: -509.568 where: short stacking energy: -228.640 Base-Backbone interact. energy: 1.594 local terms energy: -318.889204 where: bonds (distance) C4'-P energy: -69.301 bonds (distance) P-C4' energy: -67.318 flat angles C4'-P-C4' energy: -73.074 flat angles P-C4'-P energy: -52.540 tors. eta vs tors. theta energy: -56.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -386.076198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.076198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.076198 (E_RNA) where: Base-Base interactions energy: -191.536 where: short stacking energy: -112.556 Base-Backbone interact. energy: -1.178 local terms energy: -193.362089 where: bonds (distance) C4'-P energy: -50.420 bonds (distance) P-C4' energy: -67.221 flat angles C4'-P-C4' energy: -46.663 flat angles P-C4'-P energy: -46.701 tors. eta vs tors. theta energy: 17.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -407.117279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.117279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.117279 (E_RNA) where: Base-Base interactions energy: -202.670 where: short stacking energy: -117.643 Base-Backbone interact. energy: -0.425 local terms energy: -204.022800 where: bonds (distance) C4'-P energy: -55.493 bonds (distance) P-C4' energy: -64.464 flat angles C4'-P-C4' energy: -58.099 flat angles P-C4'-P energy: -31.800 tors. eta vs tors. theta energy: 5.832 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: 8 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1354.879906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.879906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.879906 (E_RNA) where: Base-Base interactions energy: -924.245 where: short stacking energy: -396.025 Base-Backbone interact. energy: -2.077 local terms energy: -428.557737 where: bonds (distance) C4'-P energy: -79.555 bonds (distance) P-C4' energy: -76.592 flat angles C4'-P-C4' energy: -88.444 flat angles P-C4'-P energy: -69.280 tors. eta vs tors. theta energy: -114.687 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: 218 Temperature: 0.950000 Total energy: -1328.654291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.654291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.654291 (E_RNA) where: Base-Base interactions energy: -915.469 where: short stacking energy: -403.050 Base-Backbone interact. energy: -2.879 local terms energy: -410.306753 where: bonds (distance) C4'-P energy: -69.894 bonds (distance) P-C4' energy: -80.418 flat angles C4'-P-C4' energy: -85.879 flat angles P-C4'-P energy: -54.221 tors. eta vs tors. theta energy: -119.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1320.090818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.090818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.090818 (E_RNA) where: Base-Base interactions energy: -912.750 where: short stacking energy: -401.715 Base-Backbone interact. energy: -2.224 local terms energy: -405.116533 where: bonds (distance) C4'-P energy: -67.820 bonds (distance) P-C4' energy: -76.347 flat angles C4'-P-C4' energy: -90.886 flat angles P-C4'-P energy: -47.392 tors. eta vs tors. theta energy: -122.671 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: 218 Temperature: 1.050000 Total energy: -1168.990648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.990648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.990648 (E_RNA) where: Base-Base interactions energy: -773.027 where: short stacking energy: -357.677 Base-Backbone interact. energy: -0.278 local terms energy: -395.686047 where: bonds (distance) C4'-P energy: -64.130 bonds (distance) P-C4' energy: -74.661 flat angles C4'-P-C4' energy: -85.480 flat angles P-C4'-P energy: -59.845 tors. eta vs tors. theta energy: -111.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1155.752847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.752847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.752847 (E_RNA) where: Base-Base interactions energy: -815.143 where: short stacking energy: -348.953 Base-Backbone interact. energy: -1.294 local terms energy: -339.316127 where: bonds (distance) C4'-P energy: -64.105 bonds (distance) P-C4' energy: -64.049 flat angles C4'-P-C4' energy: -69.525 flat angles P-C4'-P energy: -49.941 tors. eta vs tors. theta energy: -91.696 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: 9 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1059.225827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.225827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.225827 (E_RNA) where: Base-Base interactions energy: -695.323 where: short stacking energy: -298.125 Base-Backbone interact. energy: 0.382 local terms energy: -364.284190 where: bonds (distance) C4'-P energy: -76.211 bonds (distance) P-C4' energy: -71.866 flat angles C4'-P-C4' energy: -81.372 flat angles P-C4'-P energy: -44.614 tors. eta vs tors. theta energy: -90.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -850.628971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.628971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.628971 (E_RNA) where: Base-Base interactions energy: -525.300 where: short stacking energy: -248.122 Base-Backbone interact. energy: 0.641 local terms energy: -325.969438 where: bonds (distance) C4'-P energy: -63.297 bonds (distance) P-C4' energy: -70.795 flat angles C4'-P-C4' energy: -82.368 flat angles P-C4'-P energy: -46.901 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: 8, replica: 10 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -840.286200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.286200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.286200 (E_RNA) where: Base-Base interactions energy: -544.367 where: short stacking energy: -236.410 Base-Backbone interact. energy: -0.821 local terms energy: -295.098693 where: bonds (distance) C4'-P energy: -70.496 bonds (distance) P-C4' energy: -67.788 flat angles C4'-P-C4' energy: -56.143 flat angles P-C4'-P energy: -49.397 tors. eta vs tors. theta energy: -51.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -411.767843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.767843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.767843 (E_RNA) where: Base-Base interactions energy: -189.919 where: short stacking energy: -110.338 Base-Backbone interact. energy: 1.207 local terms energy: -223.055683 where: bonds (distance) C4'-P energy: -57.945 bonds (distance) P-C4' energy: -75.232 flat angles C4'-P-C4' energy: -58.359 flat angles P-C4'-P energy: -27.504 tors. eta vs tors. theta energy: -4.016 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: 1 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -354.329558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.329558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.329558 (E_RNA) where: Base-Base interactions energy: -169.010 where: short stacking energy: -107.344 Base-Backbone interact. energy: 2.311 local terms energy: -187.630734 where: bonds (distance) C4'-P energy: -63.410 bonds (distance) P-C4' energy: -57.411 flat angles C4'-P-C4' energy: -52.823 flat angles P-C4'-P energy: -33.802 tors. eta vs tors. theta energy: 19.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1357.690868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.690868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.690868 (E_RNA) where: Base-Base interactions energy: -920.796 where: short stacking energy: -399.407 Base-Backbone interact. energy: -1.596 local terms energy: -435.298963 where: bonds (distance) C4'-P energy: -74.859 bonds (distance) P-C4' energy: -82.195 flat angles C4'-P-C4' energy: -89.458 flat angles P-C4'-P energy: -67.437 tors. eta vs tors. theta energy: -121.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1337.406624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.406624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.406624 (E_RNA) where: Base-Base interactions energy: -924.361 where: short stacking energy: -405.608 Base-Backbone interact. energy: -2.590 local terms energy: -410.455957 where: bonds (distance) C4'-P energy: -72.398 bonds (distance) P-C4' energy: -73.471 flat angles C4'-P-C4' energy: -87.682 flat angles P-C4'-P energy: -60.840 tors. eta vs tors. theta energy: -116.065 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: 3, replica: 4 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1306.924696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.924696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.924696 (E_RNA) where: Base-Base interactions energy: -896.645 where: short stacking energy: -370.454 Base-Backbone interact. energy: 0.760 local terms energy: -411.039510 where: bonds (distance) C4'-P energy: -71.051 bonds (distance) P-C4' energy: -79.530 flat angles C4'-P-C4' energy: -95.318 flat angles P-C4'-P energy: -57.103 tors. eta vs tors. theta energy: -108.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1196.008454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.008454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.008454 (E_RNA) where: Base-Base interactions energy: -785.188 where: short stacking energy: -369.145 Base-Backbone interact. energy: 1.018 local terms energy: -411.838776 where: bonds (distance) C4'-P energy: -71.211 bonds (distance) P-C4' energy: -71.097 flat angles C4'-P-C4' energy: -94.194 flat angles P-C4'-P energy: -59.395 tors. eta vs tors. theta energy: -115.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1176.831393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.831393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.831393 (E_RNA) where: Base-Base interactions energy: -813.764 where: short stacking energy: -352.079 Base-Backbone interact. energy: -1.480 local terms energy: -361.586761 where: bonds (distance) C4'-P energy: -69.038 bonds (distance) P-C4' energy: -69.219 flat angles C4'-P-C4' energy: -75.177 flat angles P-C4'-P energy: -48.886 tors. eta vs tors. theta energy: -99.267 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: 9 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1097.209444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.209444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.209444 (E_RNA) where: Base-Base interactions energy: -745.255 where: short stacking energy: -337.415 Base-Backbone interact. energy: -0.912 local terms energy: -351.042562 where: bonds (distance) C4'-P energy: -61.395 bonds (distance) P-C4' energy: -66.994 flat angles C4'-P-C4' energy: -83.440 flat angles P-C4'-P energy: -45.489 tors. eta vs tors. theta energy: -93.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -922.482223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.482223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.482223 (E_RNA) where: Base-Base interactions energy: -582.939 where: short stacking energy: -280.288 Base-Backbone interact. energy: -0.569 local terms energy: -338.974919 where: bonds (distance) C4'-P energy: -66.896 bonds (distance) P-C4' energy: -70.010 flat angles C4'-P-C4' energy: -76.883 flat angles P-C4'-P energy: -46.296 tors. eta vs tors. theta energy: -78.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -836.731944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.731944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.731944 (E_RNA) where: Base-Base interactions energy: -541.197 where: short stacking energy: -238.877 Base-Backbone interact. energy: 1.174 local terms energy: -296.709744 where: bonds (distance) C4'-P energy: -68.541 bonds (distance) P-C4' energy: -71.506 flat angles C4'-P-C4' energy: -57.733 flat angles P-C4'-P energy: -39.152 tors. eta vs tors. theta energy: -59.777 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: 5 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -437.318309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.318309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.318309 (E_RNA) where: Base-Base interactions energy: -228.568 where: short stacking energy: -138.010 Base-Backbone interact. energy: -0.054 local terms energy: -208.696380 where: bonds (distance) C4'-P energy: -55.510 bonds (distance) P-C4' energy: -58.025 flat angles C4'-P-C4' energy: -63.199 flat angles P-C4'-P energy: -31.241 tors. eta vs tors. theta energy: -0.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -320.027287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.027287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.027287 (E_RNA) where: Base-Base interactions energy: -118.822 where: short stacking energy: -81.862 Base-Backbone interact. energy: -0.004 local terms energy: -201.201668 where: bonds (distance) C4'-P energy: -65.999 bonds (distance) P-C4' energy: -68.583 flat angles C4'-P-C4' energy: -50.883 flat angles P-C4'-P energy: -21.744 tors. eta vs tors. theta energy: 6.007 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: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1366.470785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.470785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.470785 (E_RNA) where: Base-Base interactions energy: -930.983 where: short stacking energy: -389.648 Base-Backbone interact. energy: -0.187 local terms energy: -435.300094 where: bonds (distance) C4'-P energy: -86.852 bonds (distance) P-C4' energy: -75.247 flat angles C4'-P-C4' energy: -88.602 flat angles P-C4'-P energy: -66.105 tors. eta vs tors. theta energy: -118.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1324.406735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.406735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.406735 (E_RNA) where: Base-Base interactions energy: -897.228 where: short stacking energy: -392.558 Base-Backbone interact. energy: -0.971 local terms energy: -426.207155 where: bonds (distance) C4'-P energy: -83.499 bonds (distance) P-C4' energy: -73.513 flat angles C4'-P-C4' energy: -94.595 flat angles P-C4'-P energy: -55.701 tors. eta vs tors. theta energy: -118.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1328.582137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.582137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.582137 (E_RNA) where: Base-Base interactions energy: -932.836 where: short stacking energy: -394.288 Base-Backbone interact. energy: 2.091 local terms energy: -397.836355 where: bonds (distance) C4'-P energy: -67.799 bonds (distance) P-C4' energy: -82.191 flat angles C4'-P-C4' energy: -83.664 flat angles P-C4'-P energy: -45.181 tors. eta vs tors. theta energy: -119.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1207.859310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.859310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.859310 (E_RNA) where: Base-Base interactions energy: -808.055 where: short stacking energy: -373.347 Base-Backbone interact. energy: -1.135 local terms energy: -398.669655 where: bonds (distance) C4'-P energy: -66.928 bonds (distance) P-C4' energy: -74.281 flat angles C4'-P-C4' energy: -79.712 flat angles P-C4'-P energy: -63.935 tors. eta vs tors. theta energy: -113.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1137.859258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.859258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.859258 (E_RNA) where: Base-Base interactions energy: -763.717 where: short stacking energy: -323.482 Base-Backbone interact. energy: -0.852 local terms energy: -373.290311 where: bonds (distance) C4'-P energy: -73.328 bonds (distance) P-C4' energy: -71.461 flat angles C4'-P-C4' energy: -81.817 flat angles P-C4'-P energy: -55.964 tors. eta vs tors. theta energy: -90.721 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: 9 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1075.444408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.444408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.444408 (E_RNA) where: Base-Base interactions energy: -729.563 where: short stacking energy: -317.471 Base-Backbone interact. energy: 1.433 local terms energy: -347.314945 where: bonds (distance) C4'-P energy: -67.743 bonds (distance) P-C4' energy: -75.170 flat angles C4'-P-C4' energy: -74.061 flat angles P-C4'-P energy: -33.267 tors. eta vs tors. theta energy: -97.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -852.832839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.832839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.832839 (E_RNA) where: Base-Base interactions energy: -553.825 where: short stacking energy: -255.467 Base-Backbone interact. energy: -0.797 local terms energy: -298.210241 where: bonds (distance) C4'-P energy: -59.790 bonds (distance) P-C4' energy: -70.703 flat angles C4'-P-C4' energy: -70.961 flat angles P-C4'-P energy: -43.785 tors. eta vs tors. theta energy: -52.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -842.654350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.654350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.654350 (E_RNA) where: Base-Base interactions energy: -553.542 where: short stacking energy: -262.455 Base-Backbone interact. energy: 0.137 local terms energy: -289.249517 where: bonds (distance) C4'-P energy: -56.512 bonds (distance) P-C4' energy: -56.765 flat angles C4'-P-C4' energy: -70.089 flat angles P-C4'-P energy: -36.994 tors. eta vs tors. theta energy: -68.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -426.256002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.256002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.256002 (E_RNA) where: Base-Base interactions energy: -198.174 where: short stacking energy: -117.405 Base-Backbone interact. energy: 0.692 local terms energy: -228.774130 where: bonds (distance) C4'-P energy: -56.076 bonds (distance) P-C4' energy: -84.402 flat angles C4'-P-C4' energy: -58.392 flat angles P-C4'-P energy: -19.662 tors. eta vs tors. theta energy: -10.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -332.657572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.657572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.657572 (E_RNA) where: Base-Base interactions energy: -119.699 where: short stacking energy: -71.679 Base-Backbone interact. energy: -3.828 local terms energy: -209.130660 where: bonds (distance) C4'-P energy: -66.902 bonds (distance) P-C4' energy: -59.718 flat angles C4'-P-C4' energy: -60.686 flat angles P-C4'-P energy: -45.521 tors. eta vs tors. theta energy: 23.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1357.040762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.040762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.040762 (E_RNA) where: Base-Base interactions energy: -925.237 where: short stacking energy: -384.978 Base-Backbone interact. energy: -3.066 local terms energy: -428.737255 where: bonds (distance) C4'-P energy: -82.120 bonds (distance) P-C4' energy: -82.536 flat angles C4'-P-C4' energy: -89.149 flat angles P-C4'-P energy: -58.387 tors. eta vs tors. theta energy: -116.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1345.684366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.684366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.684366 (E_RNA) where: Base-Base interactions energy: -915.634 where: short stacking energy: -400.953 Base-Backbone interact. energy: -2.330 local terms energy: -427.720714 where: bonds (distance) C4'-P energy: -78.134 bonds (distance) P-C4' energy: -80.472 flat angles C4'-P-C4' energy: -88.133 flat angles P-C4'-P energy: -55.610 tors. eta vs tors. theta energy: -125.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1322.796991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.796991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.796991 (E_RNA) where: Base-Base interactions energy: -918.249 where: short stacking energy: -402.765 Base-Backbone interact. energy: -2.369 local terms energy: -402.179125 where: bonds (distance) C4'-P energy: -75.383 bonds (distance) P-C4' energy: -72.971 flat angles C4'-P-C4' energy: -83.803 flat angles P-C4'-P energy: -56.383 tors. eta vs tors. theta energy: -113.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1241.541003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.541003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.541003 (E_RNA) where: Base-Base interactions energy: -850.823 where: short stacking energy: -384.309 Base-Backbone interact. energy: -1.453 local terms energy: -389.265451 where: bonds (distance) C4'-P energy: -74.830 bonds (distance) P-C4' energy: -67.288 flat angles C4'-P-C4' energy: -77.014 flat angles P-C4'-P energy: -47.192 tors. eta vs tors. theta energy: -122.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1174.088905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.088905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.088905 (E_RNA) where: Base-Base interactions energy: -817.596 where: short stacking energy: -333.342 Base-Backbone interact. energy: -1.020 local terms energy: -355.472511 where: bonds (distance) C4'-P energy: -69.912 bonds (distance) P-C4' energy: -73.313 flat angles C4'-P-C4' energy: -75.672 flat angles P-C4'-P energy: -37.336 tors. eta vs tors. theta energy: -99.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1047.214896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.214896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.214896 (E_RNA) where: Base-Base interactions energy: -680.933 where: short stacking energy: -304.771 Base-Backbone interact. energy: 0.518 local terms energy: -366.799413 where: bonds (distance) C4'-P energy: -75.586 bonds (distance) P-C4' energy: -68.755 flat angles C4'-P-C4' energy: -80.178 flat angles P-C4'-P energy: -47.805 tors. eta vs tors. theta energy: -94.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -803.940044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.940044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.940044 (E_RNA) where: Base-Base interactions energy: -488.939 where: short stacking energy: -236.033 Base-Backbone interact. energy: 0.421 local terms energy: -315.421891 where: bonds (distance) C4'-P energy: -72.269 bonds (distance) P-C4' energy: -77.037 flat angles C4'-P-C4' energy: -68.607 flat angles P-C4'-P energy: -36.855 tors. eta vs tors. theta energy: -60.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -830.235631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.235631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.235631 (E_RNA) where: Base-Base interactions energy: -531.555 where: short stacking energy: -260.404 Base-Backbone interact. energy: 2.102 local terms energy: -300.783284 where: bonds (distance) C4'-P energy: -63.140 bonds (distance) P-C4' energy: -59.681 flat angles C4'-P-C4' energy: -75.286 flat angles P-C4'-P energy: -41.854 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: 9, replica: 5 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -487.275772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.275772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.275772 (E_RNA) where: Base-Base interactions energy: -240.982 where: short stacking energy: -132.272 Base-Backbone interact. energy: 8.306 local terms energy: -254.600417 where: bonds (distance) C4'-P energy: -66.587 bonds (distance) P-C4' energy: -66.698 flat angles C4'-P-C4' energy: -61.185 flat angles P-C4'-P energy: -46.064 tors. eta vs tors. theta energy: -14.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -357.414926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.414926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.414926 (E_RNA) where: Base-Base interactions energy: -155.154 where: short stacking energy: -110.358 Base-Backbone interact. energy: -1.136 local terms energy: -201.124437 where: bonds (distance) C4'-P energy: -62.196 bonds (distance) P-C4' energy: -61.654 flat angles C4'-P-C4' energy: -63.159 flat angles P-C4'-P energy: -21.302 tors. eta vs tors. theta energy: 7.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1365.987196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.987196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.987196 (E_RNA) where: Base-Base interactions energy: -915.737 where: short stacking energy: -405.381 Base-Backbone interact. energy: -2.218 local terms energy: -448.031585 where: bonds (distance) C4'-P energy: -82.537 bonds (distance) P-C4' energy: -90.297 flat angles C4'-P-C4' energy: -90.669 flat angles P-C4'-P energy: -68.369 tors. eta vs tors. theta energy: -116.159 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: 8 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1323.595388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.595388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.595388 (E_RNA) where: Base-Base interactions energy: -919.921 where: short stacking energy: -392.884 Base-Backbone interact. energy: -1.873 local terms energy: -401.801232 where: bonds (distance) C4'-P energy: -73.593 bonds (distance) P-C4' energy: -77.484 flat angles C4'-P-C4' energy: -85.362 flat angles P-C4'-P energy: -50.216 tors. eta vs tors. theta energy: -115.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1329.443333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.443333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.443333 (E_RNA) where: Base-Base interactions energy: -915.811 where: short stacking energy: -402.050 Base-Backbone interact. energy: -0.765 local terms energy: -412.867730 where: bonds (distance) C4'-P energy: -81.684 bonds (distance) P-C4' energy: -69.282 flat angles C4'-P-C4' energy: -89.692 flat angles P-C4'-P energy: -50.948 tors. eta vs tors. theta energy: -121.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1220.621823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.621823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.621823 (E_RNA) where: Base-Base interactions energy: -815.476 where: short stacking energy: -388.514 Base-Backbone interact. energy: -2.059 local terms energy: -403.087060 where: bonds (distance) C4'-P energy: -77.101 bonds (distance) P-C4' energy: -74.135 flat angles C4'-P-C4' energy: -82.411 flat angles P-C4'-P energy: -57.035 tors. eta vs tors. theta energy: -112.406 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: 222 Temperature: 1.100000 Total energy: -1156.353465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.353465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.353465 (E_RNA) where: Base-Base interactions energy: -790.366 where: short stacking energy: -341.773 Base-Backbone interact. energy: -0.573 local terms energy: -365.414357 where: bonds (distance) C4'-P energy: -75.694 bonds (distance) P-C4' energy: -67.293 flat angles C4'-P-C4' energy: -76.961 flat angles P-C4'-P energy: -49.100 tors. eta vs tors. theta energy: -96.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1040.913045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.913045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.913045 (E_RNA) where: Base-Base interactions energy: -695.315 where: short stacking energy: -316.359 Base-Backbone interact. energy: -2.232 local terms energy: -343.366106 where: bonds (distance) C4'-P energy: -67.322 bonds (distance) P-C4' energy: -77.531 flat angles C4'-P-C4' energy: -70.669 flat angles P-C4'-P energy: -47.180 tors. eta vs tors. theta energy: -80.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -908.162670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.162670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.162670 (E_RNA) where: Base-Base interactions energy: -581.526 where: short stacking energy: -277.871 Base-Backbone interact. energy: -1.425 local terms energy: -325.210890 where: bonds (distance) C4'-P energy: -61.267 bonds (distance) P-C4' energy: -69.315 flat angles C4'-P-C4' energy: -78.721 flat angles P-C4'-P energy: -49.269 tors. eta vs tors. theta energy: -66.639 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: 8, replica: 10 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -741.961324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.961324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.961324 (E_RNA) where: Base-Base interactions energy: -454.933 where: short stacking energy: -216.541 Base-Backbone interact. energy: 0.267 local terms energy: -287.295023 where: bonds (distance) C4'-P energy: -60.507 bonds (distance) P-C4' energy: -76.439 flat angles C4'-P-C4' energy: -60.087 flat angles P-C4'-P energy: -43.951 tors. eta vs tors. theta energy: -46.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -429.806082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.806082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.806082 (E_RNA) where: Base-Base interactions energy: -179.156 where: short stacking energy: -99.273 Base-Backbone interact. energy: -1.967 local terms energy: -248.682964 where: bonds (distance) C4'-P energy: -70.919 bonds (distance) P-C4' energy: -78.353 flat angles C4'-P-C4' energy: -65.158 flat angles P-C4'-P energy: -33.189 tors. eta vs tors. theta energy: -1.064 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: 1 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -332.045841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.045841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.045841 (E_RNA) where: Base-Base interactions energy: -107.514 where: short stacking energy: -96.888 Base-Backbone interact. energy: -0.765 local terms energy: -223.766780 where: bonds (distance) C4'-P energy: -75.126 bonds (distance) P-C4' energy: -67.073 flat angles C4'-P-C4' energy: -66.076 flat angles P-C4'-P energy: -26.758 tors. eta vs tors. theta energy: 11.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1360.701176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.701176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.701176 (E_RNA) where: Base-Base interactions energy: -934.624 where: short stacking energy: -421.860 Base-Backbone interact. energy: -1.749 local terms energy: -424.327690 where: bonds (distance) C4'-P energy: -72.848 bonds (distance) P-C4' energy: -83.321 flat angles C4'-P-C4' energy: -88.667 flat angles P-C4'-P energy: -61.415 tors. eta vs tors. theta energy: -118.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1333.831394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.831394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.831394 (E_RNA) where: Base-Base interactions energy: -918.470 where: short stacking energy: -385.145 Base-Backbone interact. energy: -1.432 local terms energy: -413.929589 where: bonds (distance) C4'-P energy: -78.145 bonds (distance) P-C4' energy: -77.544 flat angles C4'-P-C4' energy: -91.701 flat angles P-C4'-P energy: -57.164 tors. eta vs tors. theta energy: -109.375 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: 223 Temperature: 1.000000 Total energy: -1312.426289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.426289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.426289 (E_RNA) where: Base-Base interactions energy: -910.137 where: short stacking energy: -387.163 Base-Backbone interact. energy: 0.228 local terms energy: -402.517761 where: bonds (distance) C4'-P energy: -79.608 bonds (distance) P-C4' energy: -71.574 flat angles C4'-P-C4' energy: -79.249 flat angles P-C4'-P energy: -50.944 tors. eta vs tors. theta energy: -121.143 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: 7 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1223.875555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.875555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.875555 (E_RNA) where: Base-Base interactions energy: -848.298 where: short stacking energy: -396.997 Base-Backbone interact. energy: -2.689 local terms energy: -372.888023 where: bonds (distance) C4'-P energy: -63.684 bonds (distance) P-C4' energy: -72.244 flat angles C4'-P-C4' energy: -77.127 flat angles P-C4'-P energy: -41.873 tors. eta vs tors. theta energy: -117.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1178.979386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.979386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.979386 (E_RNA) where: Base-Base interactions energy: -807.231 where: short stacking energy: -337.820 Base-Backbone interact. energy: -1.978 local terms energy: -369.770123 where: bonds (distance) C4'-P energy: -59.979 bonds (distance) P-C4' energy: -71.296 flat angles C4'-P-C4' energy: -90.316 flat angles P-C4'-P energy: -48.845 tors. eta vs tors. theta energy: -99.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1000.528506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.528506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.528506 (E_RNA) where: Base-Base interactions energy: -671.657 where: short stacking energy: -290.283 Base-Backbone interact. energy: 0.057 local terms energy: -328.928619 where: bonds (distance) C4'-P energy: -61.913 bonds (distance) P-C4' energy: -72.598 flat angles C4'-P-C4' energy: -80.226 flat angles P-C4'-P energy: -25.655 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: 7, replica: 6 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -865.216763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.216763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.216763 (E_RNA) where: Base-Base interactions energy: -549.561 where: short stacking energy: -255.233 Base-Backbone interact. energy: 0.315 local terms energy: -315.970177 where: bonds (distance) C4'-P energy: -78.856 bonds (distance) P-C4' energy: -66.206 flat angles C4'-P-C4' energy: -66.651 flat angles P-C4'-P energy: -47.959 tors. eta vs tors. theta energy: -56.299 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: 10 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -753.148440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.148440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.148440 (E_RNA) where: Base-Base interactions energy: -455.960 where: short stacking energy: -213.392 Base-Backbone interact. energy: 1.070 local terms energy: -298.258268 where: bonds (distance) C4'-P energy: -63.697 bonds (distance) P-C4' energy: -78.694 flat angles C4'-P-C4' energy: -73.012 flat angles P-C4'-P energy: -46.730 tors. eta vs tors. theta energy: -36.125 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: 5 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -473.826922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.826922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.826922 (E_RNA) where: Base-Base interactions energy: -220.228 where: short stacking energy: -150.518 Base-Backbone interact. energy: -1.781 local terms energy: -251.817972 where: bonds (distance) C4'-P energy: -68.414 bonds (distance) P-C4' energy: -76.379 flat angles C4'-P-C4' energy: -53.228 flat angles P-C4'-P energy: -29.200 tors. eta vs tors. theta energy: -24.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -333.971135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.971135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.971135 (E_RNA) where: Base-Base interactions energy: -120.645 where: short stacking energy: -93.178 Base-Backbone interact. energy: 0.699 local terms energy: -214.024591 where: bonds (distance) C4'-P energy: -64.380 bonds (distance) P-C4' energy: -67.994 flat angles C4'-P-C4' energy: -48.879 flat angles P-C4'-P energy: -31.906 tors. eta vs tors. theta energy: -0.866 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: 1, replica: 8 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1370.792581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.792581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.792581 (E_RNA) where: Base-Base interactions energy: -956.857 where: short stacking energy: -395.120 Base-Backbone interact. energy: -1.502 local terms energy: -412.433382 where: bonds (distance) C4'-P energy: -84.657 bonds (distance) P-C4' energy: -72.504 flat angles C4'-P-C4' energy: -83.596 flat angles P-C4'-P energy: -59.254 tors. eta vs tors. theta energy: -112.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1325.084783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.084783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.084783 (E_RNA) where: Base-Base interactions energy: -930.708 where: short stacking energy: -412.613 Base-Backbone interact. energy: -2.318 local terms energy: -392.058568 where: bonds (distance) C4'-P energy: -57.292 bonds (distance) P-C4' energy: -81.095 flat angles C4'-P-C4' energy: -81.861 flat angles P-C4'-P energy: -60.125 tors. eta vs tors. theta energy: -111.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1337.200572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.200572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.200572 (E_RNA) where: Base-Base interactions energy: -913.358 where: short stacking energy: -398.468 Base-Backbone interact. energy: -1.171 local terms energy: -422.671781 where: bonds (distance) C4'-P energy: -80.540 bonds (distance) P-C4' energy: -78.671 flat angles C4'-P-C4' energy: -80.348 flat angles P-C4'-P energy: -66.357 tors. eta vs tors. theta energy: -116.755 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: 7 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1210.268972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.268972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.268972 (E_RNA) where: Base-Base interactions energy: -814.921 where: short stacking energy: -381.674 Base-Backbone interact. energy: -0.643 local terms energy: -394.704961 where: bonds (distance) C4'-P energy: -77.013 bonds (distance) P-C4' energy: -76.062 flat angles C4'-P-C4' energy: -81.632 flat angles P-C4'-P energy: -49.002 tors. eta vs tors. theta energy: -110.996 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: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1170.455361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.455361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.455361 (E_RNA) where: Base-Base interactions energy: -797.433 where: short stacking energy: -339.564 Base-Backbone interact. energy: -2.637 local terms energy: -370.385311 where: bonds (distance) C4'-P energy: -66.365 bonds (distance) P-C4' energy: -75.239 flat angles C4'-P-C4' energy: -77.883 flat angles P-C4'-P energy: -48.914 tors. eta vs tors. theta energy: -101.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1010.622197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.622197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.622197 (E_RNA) where: Base-Base interactions energy: -686.073 where: short stacking energy: -307.267 Base-Backbone interact. energy: 2.050 local terms energy: -326.599379 where: bonds (distance) C4'-P energy: -67.273 bonds (distance) P-C4' energy: -70.749 flat angles C4'-P-C4' energy: -73.301 flat angles P-C4'-P energy: -40.881 tors. eta vs tors. theta energy: -74.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -940.505058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.505058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.505058 (E_RNA) where: Base-Base interactions energy: -626.673 where: short stacking energy: -288.513 Base-Backbone interact. energy: -1.200 local terms energy: -312.632409 where: bonds (distance) C4'-P energy: -57.150 bonds (distance) P-C4' energy: -65.847 flat angles C4'-P-C4' energy: -63.307 flat angles P-C4'-P energy: -52.867 tors. eta vs tors. theta energy: -73.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -763.527752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.527752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.527752 (E_RNA) where: Base-Base interactions energy: -484.219 where: short stacking energy: -235.839 Base-Backbone interact. energy: 0.184 local terms energy: -279.492955 where: bonds (distance) C4'-P energy: -65.895 bonds (distance) P-C4' energy: -67.807 flat angles C4'-P-C4' energy: -58.196 flat angles P-C4'-P energy: -39.861 tors. eta vs tors. theta energy: -47.733 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: 5 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -425.680632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.680632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.680632 (E_RNA) where: Base-Base interactions energy: -175.444 where: short stacking energy: -110.915 Base-Backbone interact. energy: -2.161 local terms energy: -248.076025 where: bonds (distance) C4'-P energy: -60.079 bonds (distance) P-C4' energy: -78.094 flat angles C4'-P-C4' energy: -58.257 flat angles P-C4'-P energy: -43.641 tors. eta vs tors. theta energy: -8.005 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: 1 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -336.988789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.988789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.988789 (E_RNA) where: Base-Base interactions energy: -124.210 where: short stacking energy: -104.912 Base-Backbone interact. energy: 1.351 local terms energy: -214.129100 where: bonds (distance) C4'-P energy: -70.651 bonds (distance) P-C4' energy: -77.473 flat angles C4'-P-C4' energy: -52.197 flat angles P-C4'-P energy: -27.302 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: 1, replica: 8 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1381.899258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.899258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.899258 (E_RNA) where: Base-Base interactions energy: -947.956 where: short stacking energy: -410.068 Base-Backbone interact. energy: -2.983 local terms energy: -430.960738 where: bonds (distance) C4'-P energy: -73.729 bonds (distance) P-C4' energy: -82.443 flat angles C4'-P-C4' energy: -92.821 flat angles P-C4'-P energy: -62.739 tors. eta vs tors. theta energy: -119.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1349.218557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.218557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.218557 (E_RNA) where: Base-Base interactions energy: -930.927 where: short stacking energy: -409.742 Base-Backbone interact. energy: -1.690 local terms energy: -416.601830 where: bonds (distance) C4'-P energy: -74.114 bonds (distance) P-C4' energy: -74.436 flat angles C4'-P-C4' energy: -87.451 flat angles P-C4'-P energy: -59.903 tors. eta vs tors. theta energy: -120.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1286.378194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.378194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.378194 (E_RNA) where: Base-Base interactions energy: -871.908 where: short stacking energy: -382.106 Base-Backbone interact. energy: -2.065 local terms energy: -412.405075 where: bonds (distance) C4'-P energy: -70.484 bonds (distance) P-C4' energy: -79.524 flat angles C4'-P-C4' energy: -82.027 flat angles P-C4'-P energy: -64.583 tors. eta vs tors. theta energy: -115.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1238.701140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.701140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.701140 (E_RNA) where: Base-Base interactions energy: -835.392 where: short stacking energy: -367.699 Base-Backbone interact. energy: -1.996 local terms energy: -401.312494 where: bonds (distance) C4'-P energy: -66.646 bonds (distance) P-C4' energy: -85.049 flat angles C4'-P-C4' energy: -77.509 flat angles P-C4'-P energy: -56.554 tors. eta vs tors. theta energy: -115.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1198.475298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.475298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.475298 (E_RNA) where: Base-Base interactions energy: -814.677 where: short stacking energy: -341.649 Base-Backbone interact. energy: -2.214 local terms energy: -381.584540 where: bonds (distance) C4'-P energy: -79.872 bonds (distance) P-C4' energy: -67.069 flat angles C4'-P-C4' energy: -82.682 flat angles P-C4'-P energy: -49.571 tors. eta vs tors. theta energy: -102.391 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: 6, replica: 9 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -985.617350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.617350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.617350 (E_RNA) where: Base-Base interactions energy: -661.407 where: short stacking energy: -287.354 Base-Backbone interact. energy: -2.348 local terms energy: -321.861970 where: bonds (distance) C4'-P energy: -59.289 bonds (distance) P-C4' energy: -72.071 flat angles C4'-P-C4' energy: -69.754 flat angles P-C4'-P energy: -49.253 tors. eta vs tors. theta energy: -71.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -937.727760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.727760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.727760 (E_RNA) where: Base-Base interactions energy: -605.902 where: short stacking energy: -272.425 Base-Backbone interact. energy: -2.449 local terms energy: -329.376933 where: bonds (distance) C4'-P energy: -71.591 bonds (distance) P-C4' energy: -66.865 flat angles C4'-P-C4' energy: -75.015 flat angles P-C4'-P energy: -51.687 tors. eta vs tors. theta energy: -64.219 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: 225 Temperature: 1.250000 Total energy: -714.982438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.982438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.982438 (E_RNA) where: Base-Base interactions energy: -456.511 where: short stacking energy: -197.096 Base-Backbone interact. energy: -0.671 local terms energy: -257.800900 where: bonds (distance) C4'-P energy: -67.906 bonds (distance) P-C4' energy: -52.856 flat angles C4'-P-C4' energy: -70.242 flat angles P-C4'-P energy: -42.099 tors. eta vs tors. theta energy: -24.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -438.123521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.123521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.123521 (E_RNA) where: Base-Base interactions energy: -230.680 where: short stacking energy: -128.669 Base-Backbone interact. energy: -0.041 local terms energy: -207.401899 where: bonds (distance) C4'-P energy: -58.189 bonds (distance) P-C4' energy: -61.497 flat angles C4'-P-C4' energy: -58.834 flat angles P-C4'-P energy: -22.319 tors. eta vs tors. theta energy: -6.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -319.538451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.538451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.538451 (E_RNA) where: Base-Base interactions energy: -98.539 where: short stacking energy: -81.373 Base-Backbone interact. energy: 0.310 local terms energy: -221.309214 where: bonds (distance) C4'-P energy: -69.713 bonds (distance) P-C4' energy: -66.851 flat angles C4'-P-C4' energy: -71.995 flat angles P-C4'-P energy: -30.182 tors. eta vs tors. theta energy: 17.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1359.371483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.371483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.371483 (E_RNA) where: Base-Base interactions energy: -939.619 where: short stacking energy: -380.315 Base-Backbone interact. energy: -1.749 local terms energy: -418.003865 where: bonds (distance) C4'-P energy: -75.183 bonds (distance) P-C4' energy: -75.958 flat angles C4'-P-C4' energy: -90.243 flat angles P-C4'-P energy: -62.246 tors. eta vs tors. theta energy: -114.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1355.133460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.133460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.133460 (E_RNA) where: Base-Base interactions energy: -951.171 where: short stacking energy: -426.381 Base-Backbone interact. energy: -1.791 local terms energy: -402.171937 where: bonds (distance) C4'-P energy: -63.890 bonds (distance) P-C4' energy: -73.834 flat angles C4'-P-C4' energy: -82.454 flat angles P-C4'-P energy: -58.349 tors. eta vs tors. theta energy: -123.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1296.792935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.792935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.792935 (E_RNA) where: Base-Base interactions energy: -881.280 where: short stacking energy: -385.925 Base-Backbone interact. energy: -3.445 local terms energy: -412.067765 where: bonds (distance) C4'-P energy: -72.371 bonds (distance) P-C4' energy: -76.925 flat angles C4'-P-C4' energy: -88.661 flat angles P-C4'-P energy: -57.043 tors. eta vs tors. theta energy: -117.067 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: 4, replica: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1230.481445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.481445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.481445 (E_RNA) where: Base-Base interactions energy: -843.070 where: short stacking energy: -381.674 Base-Backbone interact. energy: -0.231 local terms energy: -387.180049 where: bonds (distance) C4'-P energy: -77.382 bonds (distance) P-C4' energy: -74.604 flat angles C4'-P-C4' energy: -76.526 flat angles P-C4'-P energy: -50.189 tors. eta vs tors. theta energy: -108.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1227.218998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.218998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.218998 (E_RNA) where: Base-Base interactions energy: -863.396 where: short stacking energy: -358.003 Base-Backbone interact. energy: -0.977 local terms energy: -362.846739 where: bonds (distance) C4'-P energy: -79.278 bonds (distance) P-C4' energy: -61.756 flat angles C4'-P-C4' energy: -77.590 flat angles P-C4'-P energy: -43.954 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: 6, replica: 9 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1003.295570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.295570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.295570 (E_RNA) where: Base-Base interactions energy: -669.850 where: short stacking energy: -305.152 Base-Backbone interact. energy: 2.987 local terms energy: -336.431739 where: bonds (distance) C4'-P energy: -65.805 bonds (distance) P-C4' energy: -70.347 flat angles C4'-P-C4' energy: -71.896 flat angles P-C4'-P energy: -47.851 tors. eta vs tors. theta energy: -80.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -903.136114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.136114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.136114 (E_RNA) where: Base-Base interactions energy: -576.456 where: short stacking energy: -243.679 Base-Backbone interact. energy: 4.433 local terms energy: -331.113580 where: bonds (distance) C4'-P energy: -79.812 bonds (distance) P-C4' energy: -76.490 flat angles C4'-P-C4' energy: -69.964 flat angles P-C4'-P energy: -44.563 tors. eta vs tors. theta energy: -60.286 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: 8, replica: 10 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -719.104211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.104211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.104211 (E_RNA) where: Base-Base interactions energy: -433.591 where: short stacking energy: -207.020 Base-Backbone interact. energy: -2.653 local terms energy: -282.860145 where: bonds (distance) C4'-P energy: -62.028 bonds (distance) P-C4' energy: -72.551 flat angles C4'-P-C4' energy: -57.802 flat angles P-C4'-P energy: -53.055 tors. eta vs tors. theta energy: -37.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -420.745924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.745924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.745924 (E_RNA) where: Base-Base interactions energy: -220.715 where: short stacking energy: -130.525 Base-Backbone interact. energy: -0.335 local terms energy: -199.695441 where: bonds (distance) C4'-P energy: -46.385 bonds (distance) P-C4' energy: -70.664 flat angles C4'-P-C4' energy: -39.446 flat angles P-C4'-P energy: -34.479 tors. eta vs tors. theta energy: -8.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -317.250483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.250483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.250483 (E_RNA) where: Base-Base interactions energy: -117.637 where: short stacking energy: -94.355 Base-Backbone interact. energy: 1.495 local terms energy: -201.108087 where: bonds (distance) C4'-P energy: -56.124 bonds (distance) P-C4' energy: -69.654 flat angles C4'-P-C4' energy: -48.607 flat angles P-C4'-P energy: -41.816 tors. eta vs tors. theta energy: 15.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1382.477228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.477228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.477228 (E_RNA) where: Base-Base interactions energy: -958.149 where: short stacking energy: -398.871 Base-Backbone interact. energy: -3.238 local terms energy: -421.090269 where: bonds (distance) C4'-P energy: -86.073 bonds (distance) P-C4' energy: -76.068 flat angles C4'-P-C4' energy: -85.273 flat angles P-C4'-P energy: -59.337 tors. eta vs tors. theta energy: -114.340 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: 2, replica: 4 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1368.365068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.365068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.365068 (E_RNA) where: Base-Base interactions energy: -925.811 where: short stacking energy: -401.879 Base-Backbone interact. energy: -2.445 local terms energy: -440.108593 where: bonds (distance) C4'-P energy: -84.931 bonds (distance) P-C4' energy: -71.496 flat angles C4'-P-C4' energy: -93.090 flat angles P-C4'-P energy: -59.278 tors. eta vs tors. theta energy: -131.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1291.355812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.355812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.355812 (E_RNA) where: Base-Base interactions energy: -883.654 where: short stacking energy: -390.386 Base-Backbone interact. energy: -1.573 local terms energy: -406.129257 where: bonds (distance) C4'-P energy: -68.135 bonds (distance) P-C4' energy: -79.090 flat angles C4'-P-C4' energy: -87.373 flat angles P-C4'-P energy: -60.310 tors. eta vs tors. theta energy: -111.221 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: 227 Temperature: 1.050000 Total energy: -1235.818353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.818353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.818353 (E_RNA) where: Base-Base interactions energy: -842.548 where: short stacking energy: -358.081 Base-Backbone interact. energy: -1.941 local terms energy: -391.329467 where: bonds (distance) C4'-P energy: -73.208 bonds (distance) P-C4' energy: -87.579 flat angles C4'-P-C4' energy: -74.714 flat angles P-C4'-P energy: -46.737 tors. eta vs tors. theta energy: -109.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1215.863517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.863517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.863517 (E_RNA) where: Base-Base interactions energy: -825.469 where: short stacking energy: -363.228 Base-Backbone interact. energy: -1.467 local terms energy: -388.927761 where: bonds (distance) C4'-P energy: -66.432 bonds (distance) P-C4' energy: -79.946 flat angles C4'-P-C4' energy: -73.181 flat angles P-C4'-P energy: -54.882 tors. eta vs tors. theta energy: -114.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -909.604506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.604506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.604506 (E_RNA) where: Base-Base interactions energy: -599.832 where: short stacking energy: -253.900 Base-Backbone interact. energy: -1.844 local terms energy: -307.928808 where: bonds (distance) C4'-P energy: -60.739 bonds (distance) P-C4' energy: -68.966 flat angles C4'-P-C4' energy: -78.056 flat angles P-C4'-P energy: -51.535 tors. eta vs tors. theta energy: -48.633 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: 9 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -942.768863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.768863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.768863 (E_RNA) where: Base-Base interactions energy: -620.745 where: short stacking energy: -260.861 Base-Backbone interact. energy: -0.985 local terms energy: -321.039419 where: bonds (distance) C4'-P energy: -66.731 bonds (distance) P-C4' energy: -78.675 flat angles C4'-P-C4' energy: -58.716 flat angles P-C4'-P energy: -52.595 tors. eta vs tors. theta energy: -64.322 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: 8, replica: 10 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -701.449282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.449282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.449282 (E_RNA) where: Base-Base interactions energy: -419.637 where: short stacking energy: -199.095 Base-Backbone interact. energy: -2.226 local terms energy: -279.585840 where: bonds (distance) C4'-P energy: -62.056 bonds (distance) P-C4' energy: -69.387 flat angles C4'-P-C4' energy: -74.293 flat angles P-C4'-P energy: -36.917 tors. eta vs tors. theta energy: -36.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -400.352532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.352532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.352532 (E_RNA) where: Base-Base interactions energy: -198.119 where: short stacking energy: -125.445 Base-Backbone interact. energy: 0.512 local terms energy: -202.745803 where: bonds (distance) C4'-P energy: -66.855 bonds (distance) P-C4' energy: -66.080 flat angles C4'-P-C4' energy: -54.231 flat angles P-C4'-P energy: -22.293 tors. eta vs tors. theta energy: 6.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -307.433616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.433616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.433616 (E_RNA) where: Base-Base interactions energy: -107.421 where: short stacking energy: -67.526 Base-Backbone interact. energy: 0.124 local terms energy: -200.136816 where: bonds (distance) C4'-P energy: -61.354 bonds (distance) P-C4' energy: -61.733 flat angles C4'-P-C4' energy: -69.559 flat angles P-C4'-P energy: -34.541 tors. eta vs tors. theta energy: 27.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1390.789929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.789929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.789929 (E_RNA) where: Base-Base interactions energy: -950.235 where: short stacking energy: -426.332 Base-Backbone interact. energy: -0.713 local terms energy: -439.842124 where: bonds (distance) C4'-P energy: -76.082 bonds (distance) P-C4' energy: -76.348 flat angles C4'-P-C4' energy: -95.201 flat angles P-C4'-P energy: -64.326 tors. eta vs tors. theta energy: -127.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1333.020525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.020525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.020525 (E_RNA) where: Base-Base interactions energy: -914.383 where: short stacking energy: -368.929 Base-Backbone interact. energy: -0.554 local terms energy: -418.083821 where: bonds (distance) C4'-P energy: -76.415 bonds (distance) P-C4' energy: -83.021 flat angles C4'-P-C4' energy: -85.436 flat angles P-C4'-P energy: -59.181 tors. eta vs tors. theta energy: -114.031 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: 3, replica: 3 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1275.912361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.912361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.912361 (E_RNA) where: Base-Base interactions energy: -874.613 where: short stacking energy: -358.827 Base-Backbone interact. energy: -1.761 local terms energy: -399.537746 where: bonds (distance) C4'-P energy: -80.769 bonds (distance) P-C4' energy: -71.619 flat angles C4'-P-C4' energy: -75.893 flat angles P-C4'-P energy: -68.367 tors. eta vs tors. theta energy: -102.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1214.340373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.340373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.340373 (E_RNA) where: Base-Base interactions energy: -843.446 where: short stacking energy: -355.332 Base-Backbone interact. energy: -4.751 local terms energy: -366.144078 where: bonds (distance) C4'-P energy: -71.543 bonds (distance) P-C4' energy: -65.328 flat angles C4'-P-C4' energy: -73.882 flat angles P-C4'-P energy: -52.030 tors. eta vs tors. theta energy: -103.361 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: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1173.399201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.399201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.399201 (E_RNA) where: Base-Base interactions energy: -807.060 where: short stacking energy: -349.760 Base-Backbone interact. energy: -1.199 local terms energy: -365.140052 where: bonds (distance) C4'-P energy: -74.115 bonds (distance) P-C4' energy: -57.492 flat angles C4'-P-C4' energy: -83.029 flat angles P-C4'-P energy: -42.335 tors. eta vs tors. theta energy: -108.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -952.146810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.146810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.146810 (E_RNA) where: Base-Base interactions energy: -619.255 where: short stacking energy: -280.602 Base-Backbone interact. energy: -1.900 local terms energy: -330.992251 where: bonds (distance) C4'-P energy: -67.546 bonds (distance) P-C4' energy: -72.645 flat angles C4'-P-C4' energy: -71.767 flat angles P-C4'-P energy: -45.434 tors. eta vs tors. theta energy: -73.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -985.376609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.376609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.376609 (E_RNA) where: Base-Base interactions energy: -646.242 where: short stacking energy: -284.757 Base-Backbone interact. energy: -2.198 local terms energy: -336.936719 where: bonds (distance) C4'-P energy: -57.280 bonds (distance) P-C4' energy: -81.929 flat angles C4'-P-C4' energy: -75.480 flat angles P-C4'-P energy: -44.140 tors. eta vs tors. theta energy: -78.108 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: 10 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -666.177681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.177681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.177681 (E_RNA) where: Base-Base interactions energy: -405.191 where: short stacking energy: -197.900 Base-Backbone interact. energy: -3.313 local terms energy: -257.673441 where: bonds (distance) C4'-P energy: -61.211 bonds (distance) P-C4' energy: -54.911 flat angles C4'-P-C4' energy: -67.247 flat angles P-C4'-P energy: -39.475 tors. eta vs tors. theta energy: -34.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -419.981218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.981218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.981218 (E_RNA) where: Base-Base interactions energy: -183.899 where: short stacking energy: -131.545 Base-Backbone interact. energy: -0.318 local terms energy: -235.764141 where: bonds (distance) C4'-P energy: -65.962 bonds (distance) P-C4' energy: -61.749 flat angles C4'-P-C4' energy: -51.883 flat angles P-C4'-P energy: -38.083 tors. eta vs tors. theta energy: -18.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -315.418217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.418217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.418217 (E_RNA) where: Base-Base interactions energy: -112.254 where: short stacking energy: -80.168 Base-Backbone interact. energy: -2.118 local terms energy: -201.046475 where: bonds (distance) C4'-P energy: -67.913 bonds (distance) P-C4' energy: -72.382 flat angles C4'-P-C4' energy: -51.415 flat angles P-C4'-P energy: -33.310 tors. eta vs tors. theta energy: 23.974 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: 4 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1402.505271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.505271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.505271 (E_RNA) where: Base-Base interactions energy: -975.540 where: short stacking energy: -428.181 Base-Backbone interact. energy: -1.181 local terms energy: -425.784859 where: bonds (distance) C4'-P energy: -73.859 bonds (distance) P-C4' energy: -76.801 flat angles C4'-P-C4' energy: -97.760 flat angles P-C4'-P energy: -45.062 tors. eta vs tors. theta energy: -132.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1328.152964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.152964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.152964 (E_RNA) where: Base-Base interactions energy: -918.011 where: short stacking energy: -401.302 Base-Backbone interact. energy: -1.934 local terms energy: -408.207798 where: bonds (distance) C4'-P energy: -73.342 bonds (distance) P-C4' energy: -85.438 flat angles C4'-P-C4' energy: -87.874 flat angles P-C4'-P energy: -54.111 tors. eta vs tors. theta energy: -107.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1286.428865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.428865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.428865 (E_RNA) where: Base-Base interactions energy: -879.169 where: short stacking energy: -360.991 Base-Backbone interact. energy: -2.919 local terms energy: -404.340244 where: bonds (distance) C4'-P energy: -84.218 bonds (distance) P-C4' energy: -74.399 flat angles C4'-P-C4' energy: -79.445 flat angles P-C4'-P energy: -58.387 tors. eta vs tors. theta energy: -107.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1184.416762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.416762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.416762 (E_RNA) where: Base-Base interactions energy: -848.782 where: short stacking energy: -343.977 Base-Backbone interact. energy: -0.351 local terms energy: -335.283360 where: bonds (distance) C4'-P energy: -56.675 bonds (distance) P-C4' energy: -66.077 flat angles C4'-P-C4' energy: -76.224 flat angles P-C4'-P energy: -39.976 tors. eta vs tors. theta energy: -96.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1217.972737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.972737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.972737 (E_RNA) where: Base-Base interactions energy: -825.518 where: short stacking energy: -379.972 Base-Backbone interact. energy: -1.631 local terms energy: -390.823864 where: bonds (distance) C4'-P energy: -72.070 bonds (distance) P-C4' energy: -68.903 flat angles C4'-P-C4' energy: -81.240 flat angles P-C4'-P energy: -50.738 tors. eta vs tors. theta energy: -117.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1026.525704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.525704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.525704 (E_RNA) where: Base-Base interactions energy: -664.491 where: short stacking energy: -298.946 Base-Backbone interact. energy: -2.213 local terms energy: -359.821443 where: bonds (distance) C4'-P energy: -68.865 bonds (distance) P-C4' energy: -72.260 flat angles C4'-P-C4' energy: -78.878 flat angles P-C4'-P energy: -42.720 tors. eta vs tors. theta energy: -97.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -938.829209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.829209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.829209 (E_RNA) where: Base-Base interactions energy: -626.457 where: short stacking energy: -289.887 Base-Backbone interact. energy: 1.571 local terms energy: -313.943943 where: bonds (distance) C4'-P energy: -60.767 bonds (distance) P-C4' energy: -64.516 flat angles C4'-P-C4' energy: -73.783 flat angles P-C4'-P energy: -41.685 tors. eta vs tors. theta energy: -73.193 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: 229 Temperature: 1.250000 Total energy: -697.446997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.446997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.446997 (E_RNA) where: Base-Base interactions energy: -424.242 where: short stacking energy: -189.240 Base-Backbone interact. energy: 0.139 local terms energy: -273.343844 where: bonds (distance) C4'-P energy: -72.292 bonds (distance) P-C4' energy: -77.390 flat angles C4'-P-C4' energy: -63.797 flat angles P-C4'-P energy: -38.429 tors. eta vs tors. theta energy: -21.435 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: 5 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -409.544701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.544701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.544701 (E_RNA) where: Base-Base interactions energy: -181.293 where: short stacking energy: -114.633 Base-Backbone interact. energy: 0.842 local terms energy: -229.093706 where: bonds (distance) C4'-P energy: -66.488 bonds (distance) P-C4' energy: -66.661 flat angles C4'-P-C4' energy: -64.520 flat angles P-C4'-P energy: -39.350 tors. eta vs tors. theta energy: 7.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -308.238632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.238632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.238632 (E_RNA) where: Base-Base interactions energy: -103.281 where: short stacking energy: -99.968 Base-Backbone interact. energy: 0.013 local terms energy: -204.970781 where: bonds (distance) C4'-P energy: -58.031 bonds (distance) P-C4' energy: -76.693 flat angles C4'-P-C4' energy: -54.774 flat angles P-C4'-P energy: -17.621 tors. eta vs tors. theta energy: 2.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1418.683894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.683894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.683894 (E_RNA) where: Base-Base interactions energy: -998.707 where: short stacking energy: -445.213 Base-Backbone interact. energy: -2.115 local terms energy: -417.861468 where: bonds (distance) C4'-P energy: -68.434 bonds (distance) P-C4' energy: -77.808 flat angles C4'-P-C4' energy: -84.369 flat angles P-C4'-P energy: -57.032 tors. eta vs tors. theta energy: -130.219 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: 2, replica: 3 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1331.896937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.896937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.896937 (E_RNA) where: Base-Base interactions energy: -924.984 where: short stacking energy: -391.708 Base-Backbone interact. energy: -3.538 local terms energy: -403.375008 where: bonds (distance) C4'-P energy: -65.883 bonds (distance) P-C4' energy: -81.368 flat angles C4'-P-C4' energy: -82.594 flat angles P-C4'-P energy: -65.344 tors. eta vs tors. theta energy: -108.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1329.882215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.882215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.882215 (E_RNA) where: Base-Base interactions energy: -943.469 where: short stacking energy: -389.329 Base-Backbone interact. energy: -1.586 local terms energy: -384.827436 where: bonds (distance) C4'-P energy: -74.150 bonds (distance) P-C4' energy: -59.991 flat angles C4'-P-C4' energy: -78.692 flat angles P-C4'-P energy: -61.474 tors. eta vs tors. theta energy: -110.521 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: 2 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1198.531305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.531305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.531305 (E_RNA) where: Base-Base interactions energy: -818.816 where: short stacking energy: -340.975 Base-Backbone interact. energy: -2.670 local terms energy: -377.044978 where: bonds (distance) C4'-P energy: -74.217 bonds (distance) P-C4' energy: -70.550 flat angles C4'-P-C4' energy: -78.268 flat angles P-C4'-P energy: -56.358 tors. eta vs tors. theta energy: -97.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1206.684139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.684139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.684139 (E_RNA) where: Base-Base interactions energy: -823.692 where: short stacking energy: -375.919 Base-Backbone interact. energy: -1.780 local terms energy: -381.211751 where: bonds (distance) C4'-P energy: -64.741 bonds (distance) P-C4' energy: -69.477 flat angles C4'-P-C4' energy: -85.896 flat angles P-C4'-P energy: -54.603 tors. eta vs tors. theta energy: -106.495 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: 6, replica: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -963.802214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.802214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.802214 (E_RNA) where: Base-Base interactions energy: -639.488 where: short stacking energy: -271.114 Base-Backbone interact. energy: -0.880 local terms energy: -323.434724 where: bonds (distance) C4'-P energy: -66.479 bonds (distance) P-C4' energy: -76.477 flat angles C4'-P-C4' energy: -66.888 flat angles P-C4'-P energy: -44.347 tors. eta vs tors. theta energy: -69.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -892.968389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.968389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.968389 (E_RNA) where: Base-Base interactions energy: -580.926 where: short stacking energy: -271.340 Base-Backbone interact. energy: -1.234 local terms energy: -310.808467 where: bonds (distance) C4'-P energy: -77.809 bonds (distance) P-C4' energy: -59.244 flat angles C4'-P-C4' energy: -66.802 flat angles P-C4'-P energy: -45.607 tors. eta vs tors. theta energy: -61.347 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: 10 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -727.334807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.334807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.334807 (E_RNA) where: Base-Base interactions energy: -437.382 where: short stacking energy: -207.803 Base-Backbone interact. energy: 2.892 local terms energy: -292.844766 where: bonds (distance) C4'-P energy: -71.551 bonds (distance) P-C4' energy: -74.678 flat angles C4'-P-C4' energy: -64.186 flat angles P-C4'-P energy: -44.021 tors. eta vs tors. theta energy: -38.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -381.099669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.099669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.099669 (E_RNA) where: Base-Base interactions energy: -167.126 where: short stacking energy: -112.502 Base-Backbone interact. energy: 0.734 local terms energy: -214.707922 where: bonds (distance) C4'-P energy: -73.645 bonds (distance) P-C4' energy: -53.491 flat angles C4'-P-C4' energy: -45.928 flat angles P-C4'-P energy: -48.740 tors. eta vs tors. theta energy: 7.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -322.264723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.264723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.264723 (E_RNA) where: Base-Base interactions energy: -100.635 where: short stacking energy: -80.564 Base-Backbone interact. energy: 1.499 local terms energy: -223.128920 where: bonds (distance) C4'-P energy: -70.037 bonds (distance) P-C4' energy: -72.888 flat angles C4'-P-C4' energy: -61.817 flat angles P-C4'-P energy: -25.882 tors. eta vs tors. theta energy: 7.496 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: 231 Temperature: 0.900000 Total energy: -1398.611787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.611787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.611787 (E_RNA) where: Base-Base interactions energy: -963.395 where: short stacking energy: -414.065 Base-Backbone interact. energy: -1.519 local terms energy: -433.698336 where: bonds (distance) C4'-P energy: -75.924 bonds (distance) P-C4' energy: -74.228 flat angles C4'-P-C4' energy: -88.217 flat angles P-C4'-P energy: -68.266 tors. eta vs tors. theta energy: -127.064 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: 231 Temperature: 0.950000 Total energy: -1335.393747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.393747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.393747 (E_RNA) where: Base-Base interactions energy: -906.735 where: short stacking energy: -398.075 Base-Backbone interact. energy: -2.508 local terms energy: -426.151259 where: bonds (distance) C4'-P energy: -82.727 bonds (distance) P-C4' energy: -75.068 flat angles C4'-P-C4' energy: -86.476 flat angles P-C4'-P energy: -64.110 tors. eta vs tors. theta energy: -117.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1303.040182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.040182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.040182 (E_RNA) where: Base-Base interactions energy: -915.733 where: short stacking energy: -383.265 Base-Backbone interact. energy: -1.923 local terms energy: -385.384358 where: bonds (distance) C4'-P energy: -76.179 bonds (distance) P-C4' energy: -73.183 flat angles C4'-P-C4' energy: -84.053 flat angles P-C4'-P energy: -42.689 tors. eta vs tors. theta energy: -109.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1254.866030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.866030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.866030 (E_RNA) where: Base-Base interactions energy: -864.283 where: short stacking energy: -387.168 Base-Backbone interact. energy: -2.691 local terms energy: -387.892379 where: bonds (distance) C4'-P energy: -78.642 bonds (distance) P-C4' energy: -61.836 flat angles C4'-P-C4' energy: -76.553 flat angles P-C4'-P energy: -53.682 tors. eta vs tors. theta energy: -117.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1176.225757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.225757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.225757 (E_RNA) where: Base-Base interactions energy: -799.709 where: short stacking energy: -342.433 Base-Backbone interact. energy: -2.863 local terms energy: -373.653148 where: bonds (distance) C4'-P energy: -68.969 bonds (distance) P-C4' energy: -83.279 flat angles C4'-P-C4' energy: -75.493 flat angles P-C4'-P energy: -45.544 tors. eta vs tors. theta energy: -100.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -986.660284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.660284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.660284 (E_RNA) where: Base-Base interactions energy: -655.085 where: short stacking energy: -283.029 Base-Backbone interact. energy: -0.419 local terms energy: -331.155941 where: bonds (distance) C4'-P energy: -67.546 bonds (distance) P-C4' energy: -57.041 flat angles C4'-P-C4' energy: -77.605 flat angles P-C4'-P energy: -54.107 tors. eta vs tors. theta energy: -74.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -878.975735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.975735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.975735 (E_RNA) where: Base-Base interactions energy: -575.180 where: short stacking energy: -251.954 Base-Backbone interact. energy: -0.299 local terms energy: -303.496159 where: bonds (distance) C4'-P energy: -68.907 bonds (distance) P-C4' energy: -59.940 flat angles C4'-P-C4' energy: -75.442 flat angles P-C4'-P energy: -40.155 tors. eta vs tors. theta energy: -59.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -707.747133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.747133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.747133 (E_RNA) where: Base-Base interactions energy: -441.760 where: short stacking energy: -224.037 Base-Backbone interact. energy: -1.278 local terms energy: -264.709917 where: bonds (distance) C4'-P energy: -60.277 bonds (distance) P-C4' energy: -63.878 flat angles C4'-P-C4' energy: -67.125 flat angles P-C4'-P energy: -35.539 tors. eta vs tors. theta energy: -37.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -436.187220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.187220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.187220 (E_RNA) where: Base-Base interactions energy: -190.401 where: short stacking energy: -142.860 Base-Backbone interact. energy: -0.845 local terms energy: -244.941470 where: bonds (distance) C4'-P energy: -59.395 bonds (distance) P-C4' energy: -74.888 flat angles C4'-P-C4' energy: -51.416 flat angles P-C4'-P energy: -38.098 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: 10, replica: 1 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -340.596505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.596505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.596505 (E_RNA) where: Base-Base interactions energy: -131.651 where: short stacking energy: -94.339 Base-Backbone interact. energy: 0.486 local terms energy: -209.431659 where: bonds (distance) C4'-P energy: -53.966 bonds (distance) P-C4' energy: -60.016 flat angles C4'-P-C4' energy: -57.324 flat angles P-C4'-P energy: -43.130 tors. eta vs tors. theta energy: 5.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1407.216404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.216404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.216404 (E_RNA) where: Base-Base interactions energy: -969.990 where: short stacking energy: -427.310 Base-Backbone interact. energy: 0.141 local terms energy: -437.366880 where: bonds (distance) C4'-P energy: -77.176 bonds (distance) P-C4' energy: -84.311 flat angles C4'-P-C4' energy: -85.625 flat angles P-C4'-P energy: -57.120 tors. eta vs tors. theta energy: -133.136 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: 3 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1347.864923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.864923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.864923 (E_RNA) where: Base-Base interactions energy: -928.580 where: short stacking energy: -413.953 Base-Backbone interact. energy: -0.578 local terms energy: -418.707056 where: bonds (distance) C4'-P energy: -68.847 bonds (distance) P-C4' energy: -77.315 flat angles C4'-P-C4' energy: -89.110 flat angles P-C4'-P energy: -61.957 tors. eta vs tors. theta energy: -121.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1292.648588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.648588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.648588 (E_RNA) where: Base-Base interactions energy: -906.858 where: short stacking energy: -387.006 Base-Backbone interact. energy: 2.469 local terms energy: -388.260123 where: bonds (distance) C4'-P energy: -75.832 bonds (distance) P-C4' energy: -69.207 flat angles C4'-P-C4' energy: -83.939 flat angles P-C4'-P energy: -57.515 tors. eta vs tors. theta energy: -101.767 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: 232 Temperature: 1.050000 Total energy: -1282.518527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.518527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.518527 (E_RNA) where: Base-Base interactions energy: -872.623 where: short stacking energy: -385.829 Base-Backbone interact. energy: -0.492 local terms energy: -409.404002 where: bonds (distance) C4'-P energy: -75.537 bonds (distance) P-C4' energy: -64.904 flat angles C4'-P-C4' energy: -94.926 flat angles P-C4'-P energy: -54.925 tors. eta vs tors. theta energy: -119.111 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: 232 Temperature: 1.100000 Total energy: -1192.435145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.435145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.435145 (E_RNA) where: Base-Base interactions energy: -812.985 where: short stacking energy: -355.124 Base-Backbone interact. energy: -2.813 local terms energy: -376.637024 where: bonds (distance) C4'-P energy: -67.518 bonds (distance) P-C4' energy: -74.432 flat angles C4'-P-C4' energy: -80.810 flat angles P-C4'-P energy: -56.585 tors. eta vs tors. theta energy: -97.291 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: 9 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -970.312964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.312964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.312964 (E_RNA) where: Base-Base interactions energy: -644.705 where: short stacking energy: -277.918 Base-Backbone interact. energy: 3.339 local terms energy: -328.946881 where: bonds (distance) C4'-P energy: -68.219 bonds (distance) P-C4' energy: -73.513 flat angles C4'-P-C4' energy: -73.600 flat angles P-C4'-P energy: -37.974 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: 7, replica: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -967.971143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.971143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.971143 (E_RNA) where: Base-Base interactions energy: -642.762 where: short stacking energy: -279.399 Base-Backbone interact. energy: -1.464 local terms energy: -323.745825 where: bonds (distance) C4'-P energy: -61.217 bonds (distance) P-C4' energy: -55.903 flat angles C4'-P-C4' energy: -83.789 flat angles P-C4'-P energy: -43.554 tors. eta vs tors. theta energy: -79.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -731.265557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.265557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.265557 (E_RNA) where: Base-Base interactions energy: -440.257 where: short stacking energy: -217.009 Base-Backbone interact. energy: -0.575 local terms energy: -290.433980 where: bonds (distance) C4'-P energy: -57.861 bonds (distance) P-C4' energy: -64.413 flat angles C4'-P-C4' energy: -70.716 flat angles P-C4'-P energy: -49.740 tors. eta vs tors. theta energy: -47.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -373.780187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.780187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.780187 (E_RNA) where: Base-Base interactions energy: -150.342 where: short stacking energy: -108.067 Base-Backbone interact. energy: -2.367 local terms energy: -221.070974 where: bonds (distance) C4'-P energy: -61.994 bonds (distance) P-C4' energy: -64.766 flat angles C4'-P-C4' energy: -58.269 flat angles P-C4'-P energy: -37.462 tors. eta vs tors. theta energy: 1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -359.829074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.829074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.829074 (E_RNA) where: Base-Base interactions energy: -143.101 where: short stacking energy: -104.818 Base-Backbone interact. energy: 0.677 local terms energy: -217.404860 where: bonds (distance) C4'-P energy: -67.038 bonds (distance) P-C4' energy: -67.467 flat angles C4'-P-C4' energy: -55.685 flat angles P-C4'-P energy: -23.741 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1419.303706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.303706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.303706 (E_RNA) where: Base-Base interactions energy: -984.531 where: short stacking energy: -441.731 Base-Backbone interact. energy: -0.377 local terms energy: -434.395546 where: bonds (distance) C4'-P energy: -73.160 bonds (distance) P-C4' energy: -77.279 flat angles C4'-P-C4' energy: -94.599 flat angles P-C4'-P energy: -57.919 tors. eta vs tors. theta energy: -131.439 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: 3 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1332.789066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.789066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.789066 (E_RNA) where: Base-Base interactions energy: -902.554 where: short stacking energy: -396.251 Base-Backbone interact. energy: -1.628 local terms energy: -428.607392 where: bonds (distance) C4'-P energy: -80.560 bonds (distance) P-C4' energy: -80.032 flat angles C4'-P-C4' energy: -88.221 flat angles P-C4'-P energy: -62.907 tors. eta vs tors. theta energy: -116.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1320.245349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.245349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.245349 (E_RNA) where: Base-Base interactions energy: -918.359 where: short stacking energy: -383.944 Base-Backbone interact. energy: -1.400 local terms energy: -400.486045 where: bonds (distance) C4'-P energy: -68.866 bonds (distance) P-C4' energy: -74.993 flat angles C4'-P-C4' energy: -89.073 flat angles P-C4'-P energy: -57.272 tors. eta vs tors. theta energy: -110.282 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: 4, replica: 7 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1257.944406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.944406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.944406 (E_RNA) where: Base-Base interactions energy: -854.231 where: short stacking energy: -399.333 Base-Backbone interact. energy: -1.356 local terms energy: -402.357374 where: bonds (distance) C4'-P energy: -73.169 bonds (distance) P-C4' energy: -68.719 flat angles C4'-P-C4' energy: -86.090 flat angles P-C4'-P energy: -55.362 tors. eta vs tors. theta energy: -119.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1169.483641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.483641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.483641 (E_RNA) where: Base-Base interactions energy: -810.215 where: short stacking energy: -340.733 Base-Backbone interact. energy: -4.405 local terms energy: -354.864020 where: bonds (distance) C4'-P energy: -69.194 bonds (distance) P-C4' energy: -71.457 flat angles C4'-P-C4' energy: -67.832 flat angles P-C4'-P energy: -53.236 tors. eta vs tors. theta energy: -93.146 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: 233 Temperature: 1.150000 Total energy: -988.445104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.445104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.445104 (E_RNA) where: Base-Base interactions energy: -646.714 where: short stacking energy: -302.058 Base-Backbone interact. energy: -0.069 local terms energy: -341.661977 where: bonds (distance) C4'-P energy: -69.084 bonds (distance) P-C4' energy: -71.926 flat angles C4'-P-C4' energy: -87.367 flat angles P-C4'-P energy: -34.866 tors. eta vs tors. theta energy: -78.419 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: 9 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -979.032450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.032450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.032450 (E_RNA) where: Base-Base interactions energy: -640.255 where: short stacking energy: -258.518 Base-Backbone interact. energy: -1.821 local terms energy: -336.956372 where: bonds (distance) C4'-P energy: -72.248 bonds (distance) P-C4' energy: -76.336 flat angles C4'-P-C4' energy: -65.853 flat angles P-C4'-P energy: -45.751 tors. eta vs tors. theta energy: -76.769 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: 10 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -703.185394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.185394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.185394 (E_RNA) where: Base-Base interactions energy: -448.633 where: short stacking energy: -225.943 Base-Backbone interact. energy: 0.403 local terms energy: -254.955509 where: bonds (distance) C4'-P energy: -63.397 bonds (distance) P-C4' energy: -51.119 flat angles C4'-P-C4' energy: -55.422 flat angles P-C4'-P energy: -44.516 tors. eta vs tors. theta energy: -40.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -339.359988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.359988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.359988 (E_RNA) where: Base-Base interactions energy: -128.201 where: short stacking energy: -103.679 Base-Backbone interact. energy: 3.950 local terms energy: -215.109411 where: bonds (distance) C4'-P energy: -52.274 bonds (distance) P-C4' energy: -63.580 flat angles C4'-P-C4' energy: -58.030 flat angles P-C4'-P energy: -42.585 tors. eta vs tors. theta energy: 1.360 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: 233 Temperature: 1.350000 Total energy: -354.902696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.902696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.902696 (E_RNA) where: Base-Base interactions energy: -123.000 where: short stacking energy: -91.480 Base-Backbone interact. energy: -0.908 local terms energy: -230.994396 where: bonds (distance) C4'-P energy: -77.830 bonds (distance) P-C4' energy: -75.556 flat angles C4'-P-C4' energy: -65.381 flat angles P-C4'-P energy: -30.046 tors. eta vs tors. theta energy: 17.819 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: 234 Temperature: 0.900000 Total energy: -1406.450791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.450791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.450791 (E_RNA) where: Base-Base interactions energy: -969.707 where: short stacking energy: -410.886 Base-Backbone interact. energy: -1.291 local terms energy: -435.453127 where: bonds (distance) C4'-P energy: -77.455 bonds (distance) P-C4' energy: -77.237 flat angles C4'-P-C4' energy: -94.031 flat angles P-C4'-P energy: -62.575 tors. eta vs tors. theta energy: -124.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1348.764445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.764445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.764445 (E_RNA) where: Base-Base interactions energy: -930.610 where: short stacking energy: -413.454 Base-Backbone interact. energy: -1.867 local terms energy: -416.286947 where: bonds (distance) C4'-P energy: -62.334 bonds (distance) P-C4' energy: -83.299 flat angles C4'-P-C4' energy: -86.142 flat angles P-C4'-P energy: -62.044 tors. eta vs tors. theta energy: -122.468 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: 8 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1295.837032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.837032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.837032 (E_RNA) where: Base-Base interactions energy: -877.377 where: short stacking energy: -362.103 Base-Backbone interact. energy: -2.741 local terms energy: -415.719153 where: bonds (distance) C4'-P energy: -77.755 bonds (distance) P-C4' energy: -81.927 flat angles C4'-P-C4' energy: -83.278 flat angles P-C4'-P energy: -60.438 tors. eta vs tors. theta energy: -112.322 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: 234 Temperature: 1.050000 Total energy: -1243.958717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.958717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.958717 (E_RNA) where: Base-Base interactions energy: -852.543 where: short stacking energy: -384.432 Base-Backbone interact. energy: -1.222 local terms energy: -390.193787 where: bonds (distance) C4'-P energy: -65.068 bonds (distance) P-C4' energy: -72.138 flat angles C4'-P-C4' energy: -86.552 flat angles P-C4'-P energy: -53.650 tors. eta vs tors. theta energy: -112.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1184.344618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.344618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.344618 (E_RNA) where: Base-Base interactions energy: -808.290 where: short stacking energy: -348.651 Base-Backbone interact. energy: -2.653 local terms energy: -373.401861 where: bonds (distance) C4'-P energy: -66.552 bonds (distance) P-C4' energy: -68.483 flat angles C4'-P-C4' energy: -78.479 flat angles P-C4'-P energy: -61.995 tors. eta vs tors. theta energy: -97.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -996.053189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.053189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.053189 (E_RNA) where: Base-Base interactions energy: -648.035 where: short stacking energy: -270.270 Base-Backbone interact. energy: 1.154 local terms energy: -349.171566 where: bonds (distance) C4'-P energy: -75.440 bonds (distance) P-C4' energy: -81.981 flat angles C4'-P-C4' energy: -74.229 flat angles P-C4'-P energy: -50.366 tors. eta vs tors. theta energy: -67.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1000.352936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.352936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.352936 (E_RNA) where: Base-Base interactions energy: -670.397 where: short stacking energy: -304.170 Base-Backbone interact. energy: -0.600 local terms energy: -329.355839 where: bonds (distance) C4'-P energy: -57.590 bonds (distance) P-C4' energy: -67.080 flat angles C4'-P-C4' energy: -73.417 flat angles P-C4'-P energy: -47.507 tors. eta vs tors. theta energy: -83.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -607.459291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.459291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.459291 (E_RNA) where: Base-Base interactions energy: -347.041 where: short stacking energy: -186.531 Base-Backbone interact. energy: 0.809 local terms energy: -261.227188 where: bonds (distance) C4'-P energy: -63.450 bonds (distance) P-C4' energy: -49.934 flat angles C4'-P-C4' energy: -67.414 flat angles P-C4'-P energy: -50.387 tors. eta vs tors. theta energy: -30.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -413.440610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.440610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.440610 (E_RNA) where: Base-Base interactions energy: -199.770 where: short stacking energy: -140.719 Base-Backbone interact. energy: 3.397 local terms energy: -217.066994 where: bonds (distance) C4'-P energy: -69.599 bonds (distance) P-C4' energy: -54.443 flat angles C4'-P-C4' energy: -64.141 flat angles P-C4'-P energy: -34.437 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: 1 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -325.866090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.866090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.866090 (E_RNA) where: Base-Base interactions energy: -125.974 where: short stacking energy: -85.270 Base-Backbone interact. energy: -0.106 local terms energy: -199.785911 where: bonds (distance) C4'-P energy: -57.922 bonds (distance) P-C4' energy: -68.716 flat angles C4'-P-C4' energy: -46.219 flat angles P-C4'-P energy: -30.466 tors. eta vs tors. theta energy: 3.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1410.231832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.231832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.231832 (E_RNA) where: Base-Base interactions energy: -973.995 where: short stacking energy: -431.199 Base-Backbone interact. energy: -3.110 local terms energy: -433.126629 where: bonds (distance) C4'-P energy: -71.516 bonds (distance) P-C4' energy: -84.661 flat angles C4'-P-C4' energy: -85.449 flat angles P-C4'-P energy: -66.669 tors. eta vs tors. theta energy: -124.832 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: 3 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1335.482758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.482758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.482758 (E_RNA) where: Base-Base interactions energy: -927.813 where: short stacking energy: -410.203 Base-Backbone interact. energy: -0.728 local terms energy: -406.941638 where: bonds (distance) C4'-P energy: -76.127 bonds (distance) P-C4' energy: -78.825 flat angles C4'-P-C4' energy: -84.019 flat angles P-C4'-P energy: -55.597 tors. eta vs tors. theta energy: -112.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1309.059587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.059587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.059587 (E_RNA) where: Base-Base interactions energy: -907.174 where: short stacking energy: -369.018 Base-Backbone interact. energy: 1.499 local terms energy: -403.385419 where: bonds (distance) C4'-P energy: -75.775 bonds (distance) P-C4' energy: -73.631 flat angles C4'-P-C4' energy: -86.693 flat angles P-C4'-P energy: -59.003 tors. eta vs tors. theta energy: -108.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1236.305995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.305995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.305995 (E_RNA) where: Base-Base interactions energy: -831.368 where: short stacking energy: -391.431 Base-Backbone interact. energy: -1.007 local terms energy: -403.931558 where: bonds (distance) C4'-P energy: -77.705 bonds (distance) P-C4' energy: -63.615 flat angles C4'-P-C4' energy: -86.880 flat angles P-C4'-P energy: -45.913 tors. eta vs tors. theta energy: -129.819 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: 235 Temperature: 1.100000 Total energy: -1150.030797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.030797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.030797 (E_RNA) where: Base-Base interactions energy: -792.255 where: short stacking energy: -317.938 Base-Backbone interact. energy: -0.829 local terms energy: -356.946924 where: bonds (distance) C4'-P energy: -62.922 bonds (distance) P-C4' energy: -76.033 flat angles C4'-P-C4' energy: -76.463 flat angles P-C4'-P energy: -54.288 tors. eta vs tors. theta energy: -87.242 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: 6 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1007.307596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.307596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.307596 (E_RNA) where: Base-Base interactions energy: -671.866 where: short stacking energy: -308.571 Base-Backbone interact. energy: -0.903 local terms energy: -334.538430 where: bonds (distance) C4'-P energy: -69.226 bonds (distance) P-C4' energy: -68.780 flat angles C4'-P-C4' energy: -65.406 flat angles P-C4'-P energy: -48.900 tors. eta vs tors. theta energy: -82.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1023.327660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.327660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.327660 (E_RNA) where: Base-Base interactions energy: -685.929 where: short stacking energy: -300.666 Base-Backbone interact. energy: -1.490 local terms energy: -335.908222 where: bonds (distance) C4'-P energy: -68.998 bonds (distance) P-C4' energy: -67.505 flat angles C4'-P-C4' energy: -77.750 flat angles P-C4'-P energy: -42.871 tors. eta vs tors. theta energy: -78.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -627.674865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.674865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.674865 (E_RNA) where: Base-Base interactions energy: -358.145 where: short stacking energy: -179.977 Base-Backbone interact. energy: 0.513 local terms energy: -270.042651 where: bonds (distance) C4'-P energy: -62.889 bonds (distance) P-C4' energy: -80.619 flat angles C4'-P-C4' energy: -65.763 flat angles P-C4'-P energy: -44.089 tors. eta vs tors. theta energy: -16.683 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: 5 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -397.474129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.474129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.474129 (E_RNA) where: Base-Base interactions energy: -174.868 where: short stacking energy: -126.862 Base-Backbone interact. energy: 4.903 local terms energy: -227.508984 where: bonds (distance) C4'-P energy: -61.440 bonds (distance) P-C4' energy: -79.319 flat angles C4'-P-C4' energy: -64.622 flat angles P-C4'-P energy: -23.842 tors. eta vs tors. theta energy: 1.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -334.681084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.681084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.681084 (E_RNA) where: Base-Base interactions energy: -137.414 where: short stacking energy: -89.108 Base-Backbone interact. energy: 1.553 local terms energy: -198.819752 where: bonds (distance) C4'-P energy: -69.425 bonds (distance) P-C4' energy: -64.968 flat angles C4'-P-C4' energy: -49.310 flat angles P-C4'-P energy: -27.392 tors. eta vs tors. theta energy: 12.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1392.489846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.489846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.489846 (E_RNA) where: Base-Base interactions energy: -958.431 where: short stacking energy: -421.020 Base-Backbone interact. energy: -1.494 local terms energy: -432.564696 where: bonds (distance) C4'-P energy: -91.519 bonds (distance) P-C4' energy: -70.269 flat angles C4'-P-C4' energy: -83.296 flat angles P-C4'-P energy: -54.588 tors. eta vs tors. theta energy: -132.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1363.397947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.397947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.397947 (E_RNA) where: Base-Base interactions energy: -944.053 where: short stacking energy: -390.675 Base-Backbone interact. energy: -2.155 local terms energy: -417.190525 where: bonds (distance) C4'-P energy: -76.962 bonds (distance) P-C4' energy: -82.809 flat angles C4'-P-C4' energy: -81.104 flat angles P-C4'-P energy: -60.435 tors. eta vs tors. theta energy: -115.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1298.847833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.847833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.847833 (E_RNA) where: Base-Base interactions energy: -908.428 where: short stacking energy: -385.244 Base-Backbone interact. energy: -2.116 local terms energy: -388.303796 where: bonds (distance) C4'-P energy: -70.927 bonds (distance) P-C4' energy: -74.528 flat angles C4'-P-C4' energy: -83.592 flat angles P-C4'-P energy: -48.174 tors. eta vs tors. theta energy: -111.083 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: 236 Temperature: 1.050000 Total energy: -1242.005420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.005420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.005420 (E_RNA) where: Base-Base interactions energy: -849.474 where: short stacking energy: -400.432 Base-Backbone interact. energy: 0.015 local terms energy: -392.545692 where: bonds (distance) C4'-P energy: -66.952 bonds (distance) P-C4' energy: -73.361 flat angles C4'-P-C4' energy: -86.353 flat angles P-C4'-P energy: -51.971 tors. eta vs tors. theta energy: -113.908 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: 236 Temperature: 1.100000 Total energy: -1188.170276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.170276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.170276 (E_RNA) where: Base-Base interactions energy: -813.232 where: short stacking energy: -352.519 Base-Backbone interact. energy: 0.240 local terms energy: -375.177767 where: bonds (distance) C4'-P energy: -66.360 bonds (distance) P-C4' energy: -75.733 flat angles C4'-P-C4' energy: -83.679 flat angles P-C4'-P energy: -45.392 tors. eta vs tors. theta energy: -104.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1012.958213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.958213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.958213 (E_RNA) where: Base-Base interactions energy: -667.550 where: short stacking energy: -311.799 Base-Backbone interact. energy: -1.561 local terms energy: -343.847164 where: bonds (distance) C4'-P energy: -73.385 bonds (distance) P-C4' energy: -67.132 flat angles C4'-P-C4' energy: -81.266 flat angles P-C4'-P energy: -43.967 tors. eta vs tors. theta energy: -78.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -967.824817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.824817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.824817 (E_RNA) where: Base-Base interactions energy: -655.537 where: short stacking energy: -310.916 Base-Backbone interact. energy: -0.279 local terms energy: -312.008911 where: bonds (distance) C4'-P energy: -71.311 bonds (distance) P-C4' energy: -54.793 flat angles C4'-P-C4' energy: -69.612 flat angles P-C4'-P energy: -37.671 tors. eta vs tors. theta energy: -78.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -652.801795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.801795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.801795 (E_RNA) where: Base-Base interactions energy: -405.520 where: short stacking energy: -184.530 Base-Backbone interact. energy: -1.726 local terms energy: -245.555529 where: bonds (distance) C4'-P energy: -63.406 bonds (distance) P-C4' energy: -59.357 flat angles C4'-P-C4' energy: -49.713 flat angles P-C4'-P energy: -38.405 tors. eta vs tors. theta energy: -34.675 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: 5 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -459.337882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.337882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.337882 (E_RNA) where: Base-Base interactions energy: -216.717 where: short stacking energy: -129.514 Base-Backbone interact. energy: -0.031 local terms energy: -242.589629 where: bonds (distance) C4'-P energy: -60.858 bonds (distance) P-C4' energy: -84.421 flat angles C4'-P-C4' energy: -52.400 flat angles P-C4'-P energy: -30.044 tors. eta vs tors. theta energy: -14.866 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: 1 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -322.323960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.323960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.323960 (E_RNA) where: Base-Base interactions energy: -123.461 where: short stacking energy: -98.592 Base-Backbone interact. energy: -2.023 local terms energy: -196.840096 where: bonds (distance) C4'-P energy: -68.346 bonds (distance) P-C4' energy: -71.723 flat angles C4'-P-C4' energy: -41.176 flat angles P-C4'-P energy: -27.816 tors. eta vs tors. theta energy: 12.222 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: 237 Temperature: 0.900000 Total energy: -1388.621610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.621610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.621610 (E_RNA) where: Base-Base interactions energy: -949.675 where: short stacking energy: -421.223 Base-Backbone interact. energy: -1.088 local terms energy: -437.858921 where: bonds (distance) C4'-P energy: -78.456 bonds (distance) P-C4' energy: -82.278 flat angles C4'-P-C4' energy: -89.973 flat angles P-C4'-P energy: -57.416 tors. eta vs tors. theta energy: -129.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1344.372905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.372905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.372905 (E_RNA) where: Base-Base interactions energy: -939.382 where: short stacking energy: -387.465 Base-Backbone interact. energy: -1.351 local terms energy: -403.640020 where: bonds (distance) C4'-P energy: -75.999 bonds (distance) P-C4' energy: -78.066 flat angles C4'-P-C4' energy: -90.395 flat angles P-C4'-P energy: -43.275 tors. eta vs tors. theta energy: -115.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1289.599222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.599222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.599222 (E_RNA) where: Base-Base interactions energy: -881.226 where: short stacking energy: -373.367 Base-Backbone interact. energy: -2.722 local terms energy: -405.651229 where: bonds (distance) C4'-P energy: -84.127 bonds (distance) P-C4' energy: -76.332 flat angles C4'-P-C4' energy: -74.308 flat angles P-C4'-P energy: -58.051 tors. eta vs tors. theta energy: -112.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1272.862409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.862409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.862409 (E_RNA) where: Base-Base interactions energy: -866.132 where: short stacking energy: -383.779 Base-Backbone interact. energy: -0.513 local terms energy: -406.216729 where: bonds (distance) C4'-P energy: -57.400 bonds (distance) P-C4' energy: -78.565 flat angles C4'-P-C4' energy: -90.723 flat angles P-C4'-P energy: -61.311 tors. eta vs tors. theta energy: -118.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1194.479248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.479248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.479248 (E_RNA) where: Base-Base interactions energy: -817.293 where: short stacking energy: -372.590 Base-Backbone interact. energy: -1.445 local terms energy: -375.742213 where: bonds (distance) C4'-P energy: -77.187 bonds (distance) P-C4' energy: -66.705 flat angles C4'-P-C4' energy: -83.160 flat angles P-C4'-P energy: -46.301 tors. eta vs tors. theta energy: -102.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -986.157361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.157361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.157361 (E_RNA) where: Base-Base interactions energy: -641.091 where: short stacking energy: -315.220 Base-Backbone interact. energy: -0.472 local terms energy: -344.594298 where: bonds (distance) C4'-P energy: -68.563 bonds (distance) P-C4' energy: -63.324 flat angles C4'-P-C4' energy: -81.711 flat angles P-C4'-P energy: -45.649 tors. eta vs tors. theta energy: -85.346 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: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -989.084741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.084741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.084741 (E_RNA) where: Base-Base interactions energy: -662.300 where: short stacking energy: -305.101 Base-Backbone interact. energy: -0.537 local terms energy: -326.248159 where: bonds (distance) C4'-P energy: -62.133 bonds (distance) P-C4' energy: -66.117 flat angles C4'-P-C4' energy: -72.906 flat angles P-C4'-P energy: -48.432 tors. eta vs tors. theta energy: -76.659 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: 10 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -635.964619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.964619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.964619 (E_RNA) where: Base-Base interactions energy: -397.349 where: short stacking energy: -207.481 Base-Backbone interact. energy: 2.320 local terms energy: -240.934861 where: bonds (distance) C4'-P energy: -65.407 bonds (distance) P-C4' energy: -49.395 flat angles C4'-P-C4' energy: -72.279 flat angles P-C4'-P energy: -24.234 tors. eta vs tors. theta energy: -29.621 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: 9, replica: 5 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -444.597005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.597005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.597005 (E_RNA) where: Base-Base interactions energy: -172.997 where: short stacking energy: -118.552 Base-Backbone interact. energy: -0.191 local terms energy: -271.409109 where: bonds (distance) C4'-P energy: -62.348 bonds (distance) P-C4' energy: -75.879 flat angles C4'-P-C4' energy: -68.941 flat angles P-C4'-P energy: -44.515 tors. eta vs tors. theta energy: -19.725 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: 1 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -314.355546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.355546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.355546 (E_RNA) where: Base-Base interactions energy: -124.707 where: short stacking energy: -92.481 Base-Backbone interact. energy: -0.286 local terms energy: -189.362507 where: bonds (distance) C4'-P energy: -65.058 bonds (distance) P-C4' energy: -67.514 flat angles C4'-P-C4' energy: -46.305 flat angles P-C4'-P energy: -14.530 tors. eta vs tors. theta energy: 4.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1394.407419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.407419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.407419 (E_RNA) where: Base-Base interactions energy: -961.499 where: short stacking energy: -432.902 Base-Backbone interact. energy: -0.481 local terms energy: -432.427652 where: bonds (distance) C4'-P energy: -78.128 bonds (distance) P-C4' energy: -70.960 flat angles C4'-P-C4' energy: -87.969 flat angles P-C4'-P energy: -67.662 tors. eta vs tors. theta energy: -127.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1359.727934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.727934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.727934 (E_RNA) where: Base-Base interactions energy: -950.327 where: short stacking energy: -413.227 Base-Backbone interact. energy: -1.559 local terms energy: -407.842021 where: bonds (distance) C4'-P energy: -71.496 bonds (distance) P-C4' energy: -74.908 flat angles C4'-P-C4' energy: -87.381 flat angles P-C4'-P energy: -57.957 tors. eta vs tors. theta energy: -116.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1270.128619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.128619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.128619 (E_RNA) where: Base-Base interactions energy: -859.194 where: short stacking energy: -398.229 Base-Backbone interact. energy: -0.074 local terms energy: -410.860490 where: bonds (distance) C4'-P energy: -78.797 bonds (distance) P-C4' energy: -77.737 flat angles C4'-P-C4' energy: -75.602 flat angles P-C4'-P energy: -61.829 tors. eta vs tors. theta energy: -116.896 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: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1260.881991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.881991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.881991 (E_RNA) where: Base-Base interactions energy: -882.795 where: short stacking energy: -376.877 Base-Backbone interact. energy: -0.121 local terms energy: -377.966165 where: bonds (distance) C4'-P energy: -63.026 bonds (distance) P-C4' energy: -75.101 flat angles C4'-P-C4' energy: -78.004 flat angles P-C4'-P energy: -58.390 tors. eta vs tors. theta energy: -103.445 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: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1162.653908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.653908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.653908 (E_RNA) where: Base-Base interactions energy: -802.705 where: short stacking energy: -327.504 Base-Backbone interact. energy: -0.420 local terms energy: -359.528987 where: bonds (distance) C4'-P energy: -65.514 bonds (distance) P-C4' energy: -73.828 flat angles C4'-P-C4' energy: -85.748 flat angles P-C4'-P energy: -40.458 tors. eta vs tors. theta energy: -93.980 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: 6, replica: 9 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -984.270398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.270398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.270398 (E_RNA) where: Base-Base interactions energy: -629.875 where: short stacking energy: -291.422 Base-Backbone interact. energy: 2.699 local terms energy: -357.095210 where: bonds (distance) C4'-P energy: -64.303 bonds (distance) P-C4' energy: -74.192 flat angles C4'-P-C4' energy: -76.695 flat angles P-C4'-P energy: -61.389 tors. eta vs tors. theta energy: -80.516 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: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -972.656642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.656642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.656642 (E_RNA) where: Base-Base interactions energy: -641.119 where: short stacking energy: -275.821 Base-Backbone interact. energy: -2.830 local terms energy: -328.707913 where: bonds (distance) C4'-P energy: -67.356 bonds (distance) P-C4' energy: -68.495 flat angles C4'-P-C4' energy: -71.573 flat angles P-C4'-P energy: -52.102 tors. eta vs tors. theta energy: -69.182 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: 10 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -648.754633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.754633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.754633 (E_RNA) where: Base-Base interactions energy: -361.176 where: short stacking energy: -192.244 Base-Backbone interact. energy: -0.593 local terms energy: -286.986454 where: bonds (distance) C4'-P energy: -65.605 bonds (distance) P-C4' energy: -60.898 flat angles C4'-P-C4' energy: -67.188 flat angles P-C4'-P energy: -46.255 tors. eta vs tors. theta energy: -47.041 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: 5 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -447.587435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.587435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.587435 (E_RNA) where: Base-Base interactions energy: -242.573 where: short stacking energy: -154.909 Base-Backbone interact. energy: 3.768 local terms energy: -208.782609 where: bonds (distance) C4'-P energy: -66.405 bonds (distance) P-C4' energy: -52.281 flat angles C4'-P-C4' energy: -56.156 flat angles P-C4'-P energy: -23.545 tors. eta vs tors. theta energy: -10.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -307.321318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.321318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.321318 (E_RNA) where: Base-Base interactions energy: -97.284 where: short stacking energy: -89.924 Base-Backbone interact. energy: 3.218 local terms energy: -213.255262 where: bonds (distance) C4'-P energy: -68.609 bonds (distance) P-C4' energy: -63.031 flat angles C4'-P-C4' energy: -67.402 flat angles P-C4'-P energy: -34.002 tors. eta vs tors. theta energy: 19.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1394.898131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.898131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.898131 (E_RNA) where: Base-Base interactions energy: -956.735 where: short stacking energy: -428.058 Base-Backbone interact. energy: 0.252 local terms energy: -438.414799 where: bonds (distance) C4'-P energy: -76.235 bonds (distance) P-C4' energy: -77.698 flat angles C4'-P-C4' energy: -91.505 flat angles P-C4'-P energy: -61.096 tors. eta vs tors. theta energy: -131.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1322.201100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.201100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.201100 (E_RNA) where: Base-Base interactions energy: -927.856 where: short stacking energy: -398.862 Base-Backbone interact. energy: 0.479 local terms energy: -394.824384 where: bonds (distance) C4'-P energy: -71.068 bonds (distance) P-C4' energy: -73.139 flat angles C4'-P-C4' energy: -78.781 flat angles P-C4'-P energy: -65.319 tors. eta vs tors. theta energy: -106.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1254.201698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.201698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.201698 (E_RNA) where: Base-Base interactions energy: -855.766 where: short stacking energy: -366.883 Base-Backbone interact. energy: -1.732 local terms energy: -396.703874 where: bonds (distance) C4'-P energy: -72.116 bonds (distance) P-C4' energy: -74.369 flat angles C4'-P-C4' energy: -88.009 flat angles P-C4'-P energy: -49.369 tors. eta vs tors. theta energy: -112.840 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: 2 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1267.685202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.685202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.685202 (E_RNA) where: Base-Base interactions energy: -868.106 where: short stacking energy: -370.773 Base-Backbone interact. energy: 0.181 local terms energy: -399.760865 where: bonds (distance) C4'-P energy: -64.575 bonds (distance) P-C4' energy: -83.909 flat angles C4'-P-C4' energy: -88.977 flat angles P-C4'-P energy: -54.140 tors. eta vs tors. theta energy: -108.160 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: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1212.331004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.331004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.331004 (E_RNA) where: Base-Base interactions energy: -822.416 where: short stacking energy: -351.733 Base-Backbone interact. energy: -1.359 local terms energy: -388.555757 where: bonds (distance) C4'-P energy: -67.627 bonds (distance) P-C4' energy: -82.190 flat angles C4'-P-C4' energy: -80.638 flat angles P-C4'-P energy: -52.904 tors. eta vs tors. theta energy: -105.197 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: 6, replica: 9 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -980.885609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.885609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.885609 (E_RNA) where: Base-Base interactions energy: -639.758 where: short stacking energy: -282.792 Base-Backbone interact. energy: -0.115 local terms energy: -341.012192 where: bonds (distance) C4'-P energy: -69.813 bonds (distance) P-C4' energy: -72.269 flat angles C4'-P-C4' energy: -77.292 flat angles P-C4'-P energy: -48.939 tors. eta vs tors. theta energy: -72.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -980.009601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.009601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.009601 (E_RNA) where: Base-Base interactions energy: -622.389 where: short stacking energy: -260.723 Base-Backbone interact. energy: -1.395 local terms energy: -356.225432 where: bonds (distance) C4'-P energy: -69.911 bonds (distance) P-C4' energy: -75.426 flat angles C4'-P-C4' energy: -77.884 flat angles P-C4'-P energy: -50.419 tors. eta vs tors. theta energy: -82.584 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: 239 Temperature: 1.250000 Total energy: -621.400623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.400623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.400623 (E_RNA) where: Base-Base interactions energy: -365.598 where: short stacking energy: -198.366 Base-Backbone interact. energy: -0.163 local terms energy: -255.639357 where: bonds (distance) C4'-P energy: -55.428 bonds (distance) P-C4' energy: -77.919 flat angles C4'-P-C4' energy: -51.860 flat angles P-C4'-P energy: -34.279 tors. eta vs tors. theta energy: -36.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -433.444863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.444863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.444863 (E_RNA) where: Base-Base interactions energy: -224.546 where: short stacking energy: -128.949 Base-Backbone interact. energy: -0.096 local terms energy: -208.802881 where: bonds (distance) C4'-P energy: -53.467 bonds (distance) P-C4' energy: -71.652 flat angles C4'-P-C4' energy: -45.461 flat angles P-C4'-P energy: -36.315 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -324.042925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.042925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.042925 (E_RNA) where: Base-Base interactions energy: -138.194 where: short stacking energy: -116.925 Base-Backbone interact. energy: 4.583 local terms energy: -190.431751 where: bonds (distance) C4'-P energy: -52.501 bonds (distance) P-C4' energy: -56.145 flat angles C4'-P-C4' energy: -62.339 flat angles P-C4'-P energy: -24.148 tors. eta vs tors. theta energy: 4.701 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: 1, replica: 4 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1402.408531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.408531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.408531 (E_RNA) where: Base-Base interactions energy: -974.561 where: short stacking energy: -448.685 Base-Backbone interact. energy: 0.668 local terms energy: -428.515212 where: bonds (distance) C4'-P energy: -74.606 bonds (distance) P-C4' energy: -79.783 flat angles C4'-P-C4' energy: -84.545 flat angles P-C4'-P energy: -65.195 tors. eta vs tors. theta energy: -124.387 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: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1332.143914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.143914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.143914 (E_RNA) where: Base-Base interactions energy: -925.878 where: short stacking energy: -408.392 Base-Backbone interact. energy: 2.481 local terms energy: -408.746809 where: bonds (distance) C4'-P energy: -77.196 bonds (distance) P-C4' energy: -69.771 flat angles C4'-P-C4' energy: -86.446 flat angles P-C4'-P energy: -62.906 tors. eta vs tors. theta energy: -112.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1263.183541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.183541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.183541 (E_RNA) where: Base-Base interactions energy: -866.930 where: short stacking energy: -349.875 Base-Backbone interact. energy: -1.803 local terms energy: -394.450391 where: bonds (distance) C4'-P energy: -66.765 bonds (distance) P-C4' energy: -80.805 flat angles C4'-P-C4' energy: -86.096 flat angles P-C4'-P energy: -47.761 tors. eta vs tors. theta energy: -113.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1235.026918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.026918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.026918 (E_RNA) where: Base-Base interactions energy: -839.824 where: short stacking energy: -370.824 Base-Backbone interact. energy: 1.930 local terms energy: -397.133248 where: bonds (distance) C4'-P energy: -67.185 bonds (distance) P-C4' energy: -74.407 flat angles C4'-P-C4' energy: -88.587 flat angles P-C4'-P energy: -56.007 tors. eta vs tors. theta energy: -110.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1217.031819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.031819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.031819 (E_RNA) where: Base-Base interactions energy: -853.817 where: short stacking energy: -355.877 Base-Backbone interact. energy: -1.385 local terms energy: -361.829699 where: bonds (distance) C4'-P energy: -56.870 bonds (distance) P-C4' energy: -71.242 flat angles C4'-P-C4' energy: -80.637 flat angles P-C4'-P energy: -56.534 tors. eta vs tors. theta energy: -96.546 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: 6, replica: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -967.143831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.143831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.143831 (E_RNA) where: Base-Base interactions energy: -640.289 where: short stacking energy: -291.549 Base-Backbone interact. energy: -0.659 local terms energy: -326.195985 where: bonds (distance) C4'-P energy: -52.869 bonds (distance) P-C4' energy: -70.034 flat angles C4'-P-C4' energy: -81.976 flat angles P-C4'-P energy: -45.971 tors. eta vs tors. theta energy: -75.346 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: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -999.965359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.965359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.965359 (E_RNA) where: Base-Base interactions energy: -655.275 where: short stacking energy: -295.960 Base-Backbone interact. energy: -2.723 local terms energy: -341.967801 where: bonds (distance) C4'-P energy: -61.752 bonds (distance) P-C4' energy: -64.183 flat angles C4'-P-C4' energy: -78.713 flat angles P-C4'-P energy: -52.235 tors. eta vs tors. theta energy: -85.084 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: 8, replica: 10 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -685.576361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.576361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.576361 (E_RNA) where: Base-Base interactions energy: -429.868 where: short stacking energy: -204.891 Base-Backbone interact. energy: -2.790 local terms energy: -252.918615 where: bonds (distance) C4'-P energy: -53.224 bonds (distance) P-C4' energy: -65.786 flat angles C4'-P-C4' energy: -63.149 flat angles P-C4'-P energy: -43.620 tors. eta vs tors. theta energy: -27.140 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: 9, replica: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -469.483442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.483442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.483442 (E_RNA) where: Base-Base interactions energy: -238.083 where: short stacking energy: -158.958 Base-Backbone interact. energy: -0.987 local terms energy: -230.413120 where: bonds (distance) C4'-P energy: -54.272 bonds (distance) P-C4' energy: -61.943 flat angles C4'-P-C4' energy: -66.138 flat angles P-C4'-P energy: -35.820 tors. eta vs tors. theta energy: -12.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -355.865453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.865453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.865453 (E_RNA) where: Base-Base interactions energy: -141.284 where: short stacking energy: -116.249 Base-Backbone interact. energy: 0.190 local terms energy: -214.772202 where: bonds (distance) C4'-P energy: -67.517 bonds (distance) P-C4' energy: -57.343 flat angles C4'-P-C4' energy: -56.334 flat angles P-C4'-P energy: -46.182 tors. eta vs tors. theta energy: 12.603 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: 4 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1395.432150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.432150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.432150 (E_RNA) where: Base-Base interactions energy: -967.305 where: short stacking energy: -433.604 Base-Backbone interact. energy: -2.390 local terms energy: -425.737558 where: bonds (distance) C4'-P energy: -82.666 bonds (distance) P-C4' energy: -73.792 flat angles C4'-P-C4' energy: -92.778 flat angles P-C4'-P energy: -54.554 tors. eta vs tors. theta energy: -121.948 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: 241 Temperature: 0.950000 Total energy: -1342.845450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.845450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.845450 (E_RNA) where: Base-Base interactions energy: -944.552 where: short stacking energy: -404.291 Base-Backbone interact. energy: -1.320 local terms energy: -396.973541 where: bonds (distance) C4'-P energy: -78.260 bonds (distance) P-C4' energy: -68.193 flat angles C4'-P-C4' energy: -83.622 flat angles P-C4'-P energy: -60.063 tors. eta vs tors. theta energy: -106.836 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: 2 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1267.880829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.880829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.880829 (E_RNA) where: Base-Base interactions energy: -868.049 where: short stacking energy: -382.858 Base-Backbone interact. energy: 0.074 local terms energy: -399.905908 where: bonds (distance) C4'-P energy: -68.999 bonds (distance) P-C4' energy: -81.427 flat angles C4'-P-C4' energy: -80.443 flat angles P-C4'-P energy: -58.450 tors. eta vs tors. theta energy: -110.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1259.153154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.153154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.153154 (E_RNA) where: Base-Base interactions energy: -852.359 where: short stacking energy: -404.480 Base-Backbone interact. energy: -0.964 local terms energy: -405.830195 where: bonds (distance) C4'-P energy: -69.649 bonds (distance) P-C4' energy: -68.125 flat angles C4'-P-C4' energy: -80.608 flat angles P-C4'-P energy: -58.676 tors. eta vs tors. theta energy: -128.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1208.291315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.291315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.291315 (E_RNA) where: Base-Base interactions energy: -842.900 where: short stacking energy: -347.300 Base-Backbone interact. energy: -1.998 local terms energy: -363.393130 where: bonds (distance) C4'-P energy: -65.812 bonds (distance) P-C4' energy: -70.045 flat angles C4'-P-C4' energy: -78.657 flat angles P-C4'-P energy: -50.363 tors. eta vs tors. theta energy: -98.516 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: 241 Temperature: 1.150000 Total energy: -938.422963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.422963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.422963 (E_RNA) where: Base-Base interactions energy: -603.251 where: short stacking energy: -271.098 Base-Backbone interact. energy: -1.393 local terms energy: -333.779331 where: bonds (distance) C4'-P energy: -72.502 bonds (distance) P-C4' energy: -78.687 flat angles C4'-P-C4' energy: -72.318 flat angles P-C4'-P energy: -40.105 tors. eta vs tors. theta energy: -70.167 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: 7, replica: 9 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -906.082010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.082010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.082010 (E_RNA) where: Base-Base interactions energy: -594.461 where: short stacking energy: -285.267 Base-Backbone interact. energy: -0.527 local terms energy: -311.094149 where: bonds (distance) C4'-P energy: -63.283 bonds (distance) P-C4' energy: -67.523 flat angles C4'-P-C4' energy: -72.793 flat angles P-C4'-P energy: -35.491 tors. eta vs tors. theta energy: -72.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -718.024098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.024098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.024098 (E_RNA) where: Base-Base interactions energy: -467.908 where: short stacking energy: -217.789 Base-Backbone interact. energy: -2.206 local terms energy: -247.910046 where: bonds (distance) C4'-P energy: -65.390 bonds (distance) P-C4' energy: -63.685 flat angles C4'-P-C4' energy: -56.986 flat angles P-C4'-P energy: -27.951 tors. eta vs tors. theta energy: -33.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -493.111992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.111992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.111992 (E_RNA) where: Base-Base interactions energy: -252.924 where: short stacking energy: -135.436 Base-Backbone interact. energy: -0.728 local terms energy: -239.459774 where: bonds (distance) C4'-P energy: -52.593 bonds (distance) P-C4' energy: -81.308 flat angles C4'-P-C4' energy: -69.696 flat angles P-C4'-P energy: -39.466 tors. eta vs tors. theta energy: 3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -321.596253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.596253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.596253 (E_RNA) where: Base-Base interactions energy: -120.957 where: short stacking energy: -111.806 Base-Backbone interact. energy: -1.099 local terms energy: -199.539900 where: bonds (distance) C4'-P energy: -64.122 bonds (distance) P-C4' energy: -64.487 flat angles C4'-P-C4' energy: -52.350 flat angles P-C4'-P energy: -24.962 tors. eta vs tors. theta energy: 6.380 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: 1, replica: 4 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1412.743857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.743857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.743857 (E_RNA) where: Base-Base interactions energy: -977.883 where: short stacking energy: -442.731 Base-Backbone interact. energy: -2.282 local terms energy: -432.578056 where: bonds (distance) C4'-P energy: -78.054 bonds (distance) P-C4' energy: -84.865 flat angles C4'-P-C4' energy: -84.121 flat angles P-C4'-P energy: -53.585 tors. eta vs tors. theta energy: -131.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1322.175866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.175866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.175866 (E_RNA) where: Base-Base interactions energy: -914.122 where: short stacking energy: -409.592 Base-Backbone interact. energy: 1.135 local terms energy: -409.188296 where: bonds (distance) C4'-P energy: -70.909 bonds (distance) P-C4' energy: -71.355 flat angles C4'-P-C4' energy: -92.659 flat angles P-C4'-P energy: -60.643 tors. eta vs tors. theta energy: -113.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1314.272766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.272766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.272766 (E_RNA) where: Base-Base interactions energy: -891.792 where: short stacking energy: -401.788 Base-Backbone interact. energy: -1.382 local terms energy: -421.098727 where: bonds (distance) C4'-P energy: -78.501 bonds (distance) P-C4' energy: -75.659 flat angles C4'-P-C4' energy: -85.574 flat angles P-C4'-P energy: -51.057 tors. eta vs tors. theta energy: -130.308 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: 242 Temperature: 1.050000 Total energy: -1237.597599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.597599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.597599 (E_RNA) where: Base-Base interactions energy: -864.958 where: short stacking energy: -353.505 Base-Backbone interact. energy: -4.004 local terms energy: -368.635692 where: bonds (distance) C4'-P energy: -69.903 bonds (distance) P-C4' energy: -60.029 flat angles C4'-P-C4' energy: -82.339 flat angles P-C4'-P energy: -48.446 tors. eta vs tors. theta energy: -107.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1206.780205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.780205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.780205 (E_RNA) where: Base-Base interactions energy: -839.777 where: short stacking energy: -331.850 Base-Backbone interact. energy: -0.965 local terms energy: -366.038212 where: bonds (distance) C4'-P energy: -68.595 bonds (distance) P-C4' energy: -66.750 flat angles C4'-P-C4' energy: -78.793 flat angles P-C4'-P energy: -52.698 tors. eta vs tors. theta energy: -99.203 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: 242 Temperature: 1.150000 Total energy: -963.656991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.656991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.656991 (E_RNA) where: Base-Base interactions energy: -632.222 where: short stacking energy: -304.058 Base-Backbone interact. energy: -0.501 local terms energy: -330.934002 where: bonds (distance) C4'-P energy: -60.001 bonds (distance) P-C4' energy: -68.005 flat angles C4'-P-C4' energy: -74.049 flat angles P-C4'-P energy: -45.875 tors. eta vs tors. theta energy: -83.004 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: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -921.832201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.832201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.832201 (E_RNA) where: Base-Base interactions energy: -595.464 where: short stacking energy: -266.378 Base-Backbone interact. energy: -0.348 local terms energy: -326.020128 where: bonds (distance) C4'-P energy: -64.853 bonds (distance) P-C4' energy: -65.542 flat angles C4'-P-C4' energy: -88.393 flat angles P-C4'-P energy: -43.089 tors. eta vs tors. theta energy: -64.143 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: 10 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -739.520634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.520634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.520634 (E_RNA) where: Base-Base interactions energy: -458.796 where: short stacking energy: -228.465 Base-Backbone interact. energy: -0.937 local terms energy: -279.788281 where: bonds (distance) C4'-P energy: -60.955 bonds (distance) P-C4' energy: -53.631 flat angles C4'-P-C4' energy: -72.922 flat angles P-C4'-P energy: -41.712 tors. eta vs tors. theta energy: -50.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -452.511054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.511054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.511054 (E_RNA) where: Base-Base interactions energy: -206.824 where: short stacking energy: -128.293 Base-Backbone interact. energy: -1.528 local terms energy: -244.158792 where: bonds (distance) C4'-P energy: -73.113 bonds (distance) P-C4' energy: -71.348 flat angles C4'-P-C4' energy: -56.244 flat angles P-C4'-P energy: -43.197 tors. eta vs tors. theta energy: -0.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -315.434116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.434116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.434116 (E_RNA) where: Base-Base interactions energy: -121.817 where: short stacking energy: -88.771 Base-Backbone interact. energy: 2.207 local terms energy: -195.824782 where: bonds (distance) C4'-P energy: -62.576 bonds (distance) P-C4' energy: -69.042 flat angles C4'-P-C4' energy: -49.135 flat angles P-C4'-P energy: -36.346 tors. eta vs tors. theta energy: 21.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1412.488438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.488438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.488438 (E_RNA) where: Base-Base interactions energy: -976.268 where: short stacking energy: -432.133 Base-Backbone interact. energy: -0.836 local terms energy: -435.384215 where: bonds (distance) C4'-P energy: -63.861 bonds (distance) P-C4' energy: -80.233 flat angles C4'-P-C4' energy: -95.502 flat angles P-C4'-P energy: -64.182 tors. eta vs tors. theta energy: -131.606 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: 7 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1311.418872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.418872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.418872 (E_RNA) where: Base-Base interactions energy: -889.238 where: short stacking energy: -412.945 Base-Backbone interact. energy: -0.986 local terms energy: -421.194769 where: bonds (distance) C4'-P energy: -70.621 bonds (distance) P-C4' energy: -73.781 flat angles C4'-P-C4' energy: -87.050 flat angles P-C4'-P energy: -56.840 tors. eta vs tors. theta energy: -132.903 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: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1302.956080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.956080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.956080 (E_RNA) where: Base-Base interactions energy: -902.019 where: short stacking energy: -387.531 Base-Backbone interact. energy: -1.897 local terms energy: -399.040311 where: bonds (distance) C4'-P energy: -68.178 bonds (distance) P-C4' energy: -73.470 flat angles C4'-P-C4' energy: -85.725 flat angles P-C4'-P energy: -64.313 tors. eta vs tors. theta energy: -107.355 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: 2 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1240.799328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.799328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.799328 (E_RNA) where: Base-Base interactions energy: -870.784 where: short stacking energy: -342.101 Base-Backbone interact. energy: -0.640 local terms energy: -369.375608 where: bonds (distance) C4'-P energy: -57.671 bonds (distance) P-C4' energy: -75.955 flat angles C4'-P-C4' energy: -86.361 flat angles P-C4'-P energy: -47.965 tors. eta vs tors. theta energy: -101.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1198.723570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.723570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.723570 (E_RNA) where: Base-Base interactions energy: -811.469 where: short stacking energy: -336.364 Base-Backbone interact. energy: 1.187 local terms energy: -388.441231 where: bonds (distance) C4'-P energy: -65.344 bonds (distance) P-C4' energy: -84.998 flat angles C4'-P-C4' energy: -87.525 flat angles P-C4'-P energy: -50.732 tors. eta vs tors. theta energy: -99.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -976.269029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.269029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.269029 (E_RNA) where: Base-Base interactions energy: -637.572 where: short stacking energy: -310.973 Base-Backbone interact. energy: -0.753 local terms energy: -337.943875 where: bonds (distance) C4'-P energy: -66.220 bonds (distance) P-C4' energy: -74.948 flat angles C4'-P-C4' energy: -75.963 flat angles P-C4'-P energy: -42.403 tors. eta vs tors. theta energy: -78.409 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: 9 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -890.747099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.747099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.747099 (E_RNA) where: Base-Base interactions energy: -572.456 where: short stacking energy: -272.181 Base-Backbone interact. energy: -0.262 local terms energy: -318.028564 where: bonds (distance) C4'-P energy: -68.153 bonds (distance) P-C4' energy: -69.281 flat angles C4'-P-C4' energy: -67.158 flat angles P-C4'-P energy: -48.963 tors. eta vs tors. theta energy: -64.474 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: 10 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -736.954396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.954396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.954396 (E_RNA) where: Base-Base interactions energy: -448.548 where: short stacking energy: -201.850 Base-Backbone interact. energy: -1.351 local terms energy: -287.055715 where: bonds (distance) C4'-P energy: -71.081 bonds (distance) P-C4' energy: -74.045 flat angles C4'-P-C4' energy: -62.322 flat angles P-C4'-P energy: -43.380 tors. eta vs tors. theta energy: -36.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -438.776028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.776028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.776028 (E_RNA) where: Base-Base interactions energy: -203.698 where: short stacking energy: -115.857 Base-Backbone interact. energy: -1.812 local terms energy: -233.266007 where: bonds (distance) C4'-P energy: -61.758 bonds (distance) P-C4' energy: -63.578 flat angles C4'-P-C4' energy: -53.454 flat angles P-C4'-P energy: -40.300 tors. eta vs tors. theta energy: -14.176 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: 1 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -317.068917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.068917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.068917 (E_RNA) where: Base-Base interactions energy: -120.912 where: short stacking energy: -103.921 Base-Backbone interact. energy: 2.052 local terms energy: -198.208862 where: bonds (distance) C4'-P energy: -52.023 bonds (distance) P-C4' energy: -59.733 flat angles C4'-P-C4' energy: -54.556 flat angles P-C4'-P energy: -39.723 tors. eta vs tors. theta energy: 7.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1413.869237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.869237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.869237 (E_RNA) where: Base-Base interactions energy: -961.716 where: short stacking energy: -433.062 Base-Backbone interact. energy: -1.764 local terms energy: -450.389039 where: bonds (distance) C4'-P energy: -81.861 bonds (distance) P-C4' energy: -83.666 flat angles C4'-P-C4' energy: -89.016 flat angles P-C4'-P energy: -66.335 tors. eta vs tors. theta energy: -129.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1323.835106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.835106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.835106 (E_RNA) where: Base-Base interactions energy: -884.115 where: short stacking energy: -410.421 Base-Backbone interact. energy: 0.085 local terms energy: -439.804984 where: bonds (distance) C4'-P energy: -79.341 bonds (distance) P-C4' energy: -81.624 flat angles C4'-P-C4' energy: -98.641 flat angles P-C4'-P energy: -57.304 tors. eta vs tors. theta energy: -122.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1313.235378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.235378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.235378 (E_RNA) where: Base-Base interactions energy: -902.892 where: short stacking energy: -395.258 Base-Backbone interact. energy: 2.010 local terms energy: -412.354058 where: bonds (distance) C4'-P energy: -74.174 bonds (distance) P-C4' energy: -83.145 flat angles C4'-P-C4' energy: -91.426 flat angles P-C4'-P energy: -58.225 tors. eta vs tors. theta energy: -105.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1261.823816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.823816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.823816 (E_RNA) where: Base-Base interactions energy: -878.602 where: short stacking energy: -373.397 Base-Backbone interact. energy: -2.245 local terms energy: -380.977249 where: bonds (distance) C4'-P energy: -70.589 bonds (distance) P-C4' energy: -66.621 flat angles C4'-P-C4' energy: -80.357 flat angles P-C4'-P energy: -55.580 tors. eta vs tors. theta energy: -107.829 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: 8 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1239.156782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.156782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.156782 (E_RNA) where: Base-Base interactions energy: -878.360 where: short stacking energy: -369.939 Base-Backbone interact. energy: -1.917 local terms energy: -358.879676 where: bonds (distance) C4'-P energy: -71.362 bonds (distance) P-C4' energy: -56.524 flat angles C4'-P-C4' energy: -68.928 flat angles P-C4'-P energy: -52.512 tors. eta vs tors. theta energy: -109.553 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: 6, replica: 6 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -953.604246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.604246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.604246 (E_RNA) where: Base-Base interactions energy: -625.400 where: short stacking energy: -288.838 Base-Backbone interact. energy: 1.150 local terms energy: -329.354186 where: bonds (distance) C4'-P energy: -68.290 bonds (distance) P-C4' energy: -65.204 flat angles C4'-P-C4' energy: -76.206 flat angles P-C4'-P energy: -45.903 tors. eta vs tors. theta energy: -73.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -935.285505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.285505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.285505 (E_RNA) where: Base-Base interactions energy: -625.888 where: short stacking energy: -276.045 Base-Backbone interact. energy: 0.145 local terms energy: -309.542539 where: bonds (distance) C4'-P energy: -64.553 bonds (distance) P-C4' energy: -65.394 flat angles C4'-P-C4' energy: -65.718 flat angles P-C4'-P energy: -34.555 tors. eta vs tors. theta energy: -79.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -763.000220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.000220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.000220 (E_RNA) where: Base-Base interactions energy: -481.799 where: short stacking energy: -216.158 Base-Backbone interact. energy: -0.554 local terms energy: -280.647115 where: bonds (distance) C4'-P energy: -52.315 bonds (distance) P-C4' energy: -76.012 flat angles C4'-P-C4' energy: -59.148 flat angles P-C4'-P energy: -53.562 tors. eta vs tors. theta energy: -39.610 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: 5 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -478.016986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.016986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.016986 (E_RNA) where: Base-Base interactions energy: -254.757 where: short stacking energy: -132.174 Base-Backbone interact. energy: -3.418 local terms energy: -219.842498 where: bonds (distance) C4'-P energy: -68.388 bonds (distance) P-C4' energy: -65.672 flat angles C4'-P-C4' energy: -58.601 flat angles P-C4'-P energy: -30.672 tors. eta vs tors. theta energy: 3.491 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: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -306.229478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.229478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.229478 (E_RNA) where: Base-Base interactions energy: -116.270 where: short stacking energy: -95.229 Base-Backbone interact. energy: 3.126 local terms energy: -193.085113 where: bonds (distance) C4'-P energy: -64.904 bonds (distance) P-C4' energy: -59.566 flat angles C4'-P-C4' energy: -57.493 flat angles P-C4'-P energy: -29.145 tors. eta vs tors. theta energy: 18.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1418.308304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.308304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.308304 (E_RNA) where: Base-Base interactions energy: -983.227 where: short stacking energy: -424.135 Base-Backbone interact. energy: -1.292 local terms energy: -433.789359 where: bonds (distance) C4'-P energy: -80.097 bonds (distance) P-C4' energy: -70.744 flat angles C4'-P-C4' energy: -89.244 flat angles P-C4'-P energy: -66.335 tors. eta vs tors. theta energy: -127.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1340.866669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.866669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.866669 (E_RNA) where: Base-Base interactions energy: -899.328 where: short stacking energy: -410.909 Base-Backbone interact. energy: -1.904 local terms energy: -439.634644 where: bonds (distance) C4'-P energy: -82.784 bonds (distance) P-C4' energy: -84.545 flat angles C4'-P-C4' energy: -90.290 flat angles P-C4'-P energy: -56.476 tors. eta vs tors. theta energy: -125.539 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: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1288.133209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.133209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.133209 (E_RNA) where: Base-Base interactions energy: -898.938 where: short stacking energy: -376.117 Base-Backbone interact. energy: 2.647 local terms energy: -391.842135 where: bonds (distance) C4'-P energy: -63.074 bonds (distance) P-C4' energy: -87.305 flat angles C4'-P-C4' energy: -80.141 flat angles P-C4'-P energy: -61.862 tors. eta vs tors. theta energy: -99.459 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: 2 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1203.645047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.645047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.645047 (E_RNA) where: Base-Base interactions energy: -835.794 where: short stacking energy: -358.302 Base-Backbone interact. energy: -1.674 local terms energy: -366.176484 where: bonds (distance) C4'-P energy: -68.912 bonds (distance) P-C4' energy: -63.016 flat angles C4'-P-C4' energy: -71.393 flat angles P-C4'-P energy: -54.344 tors. eta vs tors. theta energy: -108.511 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: 8 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1176.315687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.315687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.315687 (E_RNA) where: Base-Base interactions energy: -806.787 where: short stacking energy: -336.907 Base-Backbone interact. energy: 4.549 local terms energy: -374.077208 where: bonds (distance) C4'-P energy: -80.333 bonds (distance) P-C4' energy: -76.084 flat angles C4'-P-C4' energy: -79.043 flat angles P-C4'-P energy: -47.329 tors. eta vs tors. theta energy: -91.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -919.105550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.105550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.105550 (E_RNA) where: Base-Base interactions energy: -586.744 where: short stacking energy: -283.635 Base-Backbone interact. energy: -0.263 local terms energy: -332.098736 where: bonds (distance) C4'-P energy: -72.847 bonds (distance) P-C4' energy: -67.364 flat angles C4'-P-C4' energy: -81.488 flat angles P-C4'-P energy: -40.541 tors. eta vs tors. theta energy: -69.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -940.720215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.720215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.720215 (E_RNA) where: Base-Base interactions energy: -619.083 where: short stacking energy: -267.984 Base-Backbone interact. energy: 0.317 local terms energy: -321.953266 where: bonds (distance) C4'-P energy: -63.730 bonds (distance) P-C4' energy: -62.148 flat angles C4'-P-C4' energy: -67.397 flat angles P-C4'-P energy: -52.386 tors. eta vs tors. theta energy: -76.292 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: 10 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -775.953777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.953777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.953777 (E_RNA) where: Base-Base interactions energy: -496.820 where: short stacking energy: -213.644 Base-Backbone interact. energy: 0.613 local terms energy: -279.746882 where: bonds (distance) C4'-P energy: -68.672 bonds (distance) P-C4' energy: -72.615 flat angles C4'-P-C4' energy: -76.663 flat angles P-C4'-P energy: -19.537 tors. eta vs tors. theta energy: -42.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -488.454242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.454242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.454242 (E_RNA) where: Base-Base interactions energy: -250.368 where: short stacking energy: -134.204 Base-Backbone interact. energy: 1.535 local terms energy: -239.621440 where: bonds (distance) C4'-P energy: -73.541 bonds (distance) P-C4' energy: -70.671 flat angles C4'-P-C4' energy: -47.860 flat angles P-C4'-P energy: -37.397 tors. eta vs tors. theta energy: -10.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -358.033005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.033005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.033005 (E_RNA) where: Base-Base interactions energy: -157.676 where: short stacking energy: -95.367 Base-Backbone interact. energy: 0.912 local terms energy: -201.269306 where: bonds (distance) C4'-P energy: -49.413 bonds (distance) P-C4' energy: -62.247 flat angles C4'-P-C4' energy: -58.832 flat angles P-C4'-P energy: -39.795 tors. eta vs tors. theta energy: 9.018 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: 246 Temperature: 0.900000 Total energy: -1411.988952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.988952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.988952 (E_RNA) where: Base-Base interactions energy: -972.579 where: short stacking energy: -423.707 Base-Backbone interact. energy: -1.605 local terms energy: -437.804161 where: bonds (distance) C4'-P energy: -72.955 bonds (distance) P-C4' energy: -76.274 flat angles C4'-P-C4' energy: -99.299 flat angles P-C4'-P energy: -63.388 tors. eta vs tors. theta energy: -125.889 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: 7 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1330.018203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.018203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.018203 (E_RNA) where: Base-Base interactions energy: -883.989 where: short stacking energy: -417.492 Base-Backbone interact. energy: -0.992 local terms energy: -445.037101 where: bonds (distance) C4'-P energy: -76.331 bonds (distance) P-C4' energy: -76.614 flat angles C4'-P-C4' energy: -91.414 flat angles P-C4'-P energy: -62.719 tors. eta vs tors. theta energy: -137.959 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: 3, replica: 3 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1319.959538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.959538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.959538 (E_RNA) where: Base-Base interactions energy: -909.155 where: short stacking energy: -402.053 Base-Backbone interact. energy: 0.272 local terms energy: -411.076860 where: bonds (distance) C4'-P energy: -72.822 bonds (distance) P-C4' energy: -77.556 flat angles C4'-P-C4' energy: -82.936 flat angles P-C4'-P energy: -59.548 tors. eta vs tors. theta energy: -118.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1219.489368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.489368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.489368 (E_RNA) where: Base-Base interactions energy: -817.885 where: short stacking energy: -341.075 Base-Backbone interact. energy: -1.676 local terms energy: -399.927755 where: bonds (distance) C4'-P energy: -78.872 bonds (distance) P-C4' energy: -77.839 flat angles C4'-P-C4' energy: -81.430 flat angles P-C4'-P energy: -50.842 tors. eta vs tors. theta energy: -110.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1212.806897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.806897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.806897 (E_RNA) where: Base-Base interactions energy: -832.529 where: short stacking energy: -366.231 Base-Backbone interact. energy: 0.091 local terms energy: -380.368765 where: bonds (distance) C4'-P energy: -59.008 bonds (distance) P-C4' energy: -78.275 flat angles C4'-P-C4' energy: -85.069 flat angles P-C4'-P energy: -56.745 tors. eta vs tors. theta energy: -101.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -933.317582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.317582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.317582 (E_RNA) where: Base-Base interactions energy: -616.411 where: short stacking energy: -283.564 Base-Backbone interact. energy: -1.275 local terms energy: -315.631589 where: bonds (distance) C4'-P energy: -72.890 bonds (distance) P-C4' energy: -63.350 flat angles C4'-P-C4' energy: -66.284 flat angles P-C4'-P energy: -44.564 tors. eta vs tors. theta energy: -68.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -891.049996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.049996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.049996 (E_RNA) where: Base-Base interactions energy: -581.100 where: short stacking energy: -264.743 Base-Backbone interact. energy: -1.300 local terms energy: -308.649885 where: bonds (distance) C4'-P energy: -60.031 bonds (distance) P-C4' energy: -63.928 flat angles C4'-P-C4' energy: -74.998 flat angles P-C4'-P energy: -39.591 tors. eta vs tors. theta energy: -70.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -791.892098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.892098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.892098 (E_RNA) where: Base-Base interactions energy: -522.700 where: short stacking energy: -229.303 Base-Backbone interact. energy: 0.263 local terms energy: -269.454562 where: bonds (distance) C4'-P energy: -53.920 bonds (distance) P-C4' energy: -67.582 flat angles C4'-P-C4' energy: -63.319 flat angles P-C4'-P energy: -36.238 tors. eta vs tors. theta energy: -48.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -506.220470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.220470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.220470 (E_RNA) where: Base-Base interactions energy: -261.277 where: short stacking energy: -147.896 Base-Backbone interact. energy: 3.088 local terms energy: -248.031053 where: bonds (distance) C4'-P energy: -72.300 bonds (distance) P-C4' energy: -71.451 flat angles C4'-P-C4' energy: -58.308 flat angles P-C4'-P energy: -26.625 tors. eta vs tors. theta energy: -19.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -359.867313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.867313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.867313 (E_RNA) where: Base-Base interactions energy: -142.127 where: short stacking energy: -91.737 Base-Backbone interact. energy: -1.649 local terms energy: -216.092012 where: bonds (distance) C4'-P energy: -67.066 bonds (distance) P-C4' energy: -69.193 flat angles C4'-P-C4' energy: -58.617 flat angles P-C4'-P energy: -21.405 tors. eta vs tors. theta energy: 0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1408.077187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.077187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.077187 (E_RNA) where: Base-Base interactions energy: -970.475 where: short stacking energy: -424.217 Base-Backbone interact. energy: -1.522 local terms energy: -436.080843 where: bonds (distance) C4'-P energy: -89.626 bonds (distance) P-C4' energy: -75.195 flat angles C4'-P-C4' energy: -87.887 flat angles P-C4'-P energy: -55.464 tors. eta vs tors. theta energy: -127.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1328.134098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.134098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.134098 (E_RNA) where: Base-Base interactions energy: -921.585 where: short stacking energy: -396.730 Base-Backbone interact. energy: -2.946 local terms energy: -403.602501 where: bonds (distance) C4'-P energy: -69.727 bonds (distance) P-C4' energy: -75.725 flat angles C4'-P-C4' energy: -90.426 flat angles P-C4'-P energy: -50.087 tors. eta vs tors. theta energy: -117.637 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: 7 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1299.059460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.059460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.059460 (E_RNA) where: Base-Base interactions energy: -860.620 where: short stacking energy: -385.545 Base-Backbone interact. energy: 0.025 local terms energy: -438.464741 where: bonds (distance) C4'-P energy: -78.517 bonds (distance) P-C4' energy: -81.268 flat angles C4'-P-C4' energy: -86.983 flat angles P-C4'-P energy: -59.700 tors. eta vs tors. theta energy: -131.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1258.278383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.278383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.278383 (E_RNA) where: Base-Base interactions energy: -894.876 where: short stacking energy: -377.419 Base-Backbone interact. energy: 0.000 local terms energy: -363.402249 where: bonds (distance) C4'-P energy: -61.676 bonds (distance) P-C4' energy: -71.798 flat angles C4'-P-C4' energy: -80.587 flat angles P-C4'-P energy: -45.945 tors. eta vs tors. theta energy: -103.396 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: 8 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1204.366030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.366030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.366030 (E_RNA) where: Base-Base interactions energy: -826.956 where: short stacking energy: -344.933 Base-Backbone interact. energy: -1.635 local terms energy: -375.774849 where: bonds (distance) C4'-P energy: -66.741 bonds (distance) P-C4' energy: -79.708 flat angles C4'-P-C4' energy: -80.986 flat angles P-C4'-P energy: -49.996 tors. eta vs tors. theta energy: -98.344 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: 6 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -980.148051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.148051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.148051 (E_RNA) where: Base-Base interactions energy: -628.605 where: short stacking energy: -282.811 Base-Backbone interact. energy: -1.508 local terms energy: -350.034946 where: bonds (distance) C4'-P energy: -75.956 bonds (distance) P-C4' energy: -76.008 flat angles C4'-P-C4' energy: -72.374 flat angles P-C4'-P energy: -51.298 tors. eta vs tors. theta energy: -74.399 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: 9 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -909.759125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.759125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.759125 (E_RNA) where: Base-Base interactions energy: -600.343 where: short stacking energy: -274.554 Base-Backbone interact. energy: -0.852 local terms energy: -308.564336 where: bonds (distance) C4'-P energy: -61.859 bonds (distance) P-C4' energy: -61.964 flat angles C4'-P-C4' energy: -78.925 flat angles P-C4'-P energy: -43.161 tors. eta vs tors. theta energy: -62.656 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: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -796.221639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.221639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.221639 (E_RNA) where: Base-Base interactions energy: -507.850 where: short stacking energy: -235.315 Base-Backbone interact. energy: -1.332 local terms energy: -287.039560 where: bonds (distance) C4'-P energy: -66.662 bonds (distance) P-C4' energy: -76.348 flat angles C4'-P-C4' energy: -71.409 flat angles P-C4'-P energy: -35.575 tors. eta vs tors. theta energy: -37.046 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: 5 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -484.426888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.426888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.426888 (E_RNA) where: Base-Base interactions energy: -247.485 where: short stacking energy: -134.189 Base-Backbone interact. energy: 0.936 local terms energy: -237.878419 where: bonds (distance) C4'-P energy: -63.703 bonds (distance) P-C4' energy: -71.266 flat angles C4'-P-C4' energy: -57.077 flat angles P-C4'-P energy: -49.900 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: 10, replica: 1 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -380.454903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.454903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.454903 (E_RNA) where: Base-Base interactions energy: -174.264 where: short stacking energy: -111.555 Base-Backbone interact. energy: -1.662 local terms energy: -204.529528 where: bonds (distance) C4'-P energy: -61.854 bonds (distance) P-C4' energy: -59.072 flat angles C4'-P-C4' energy: -60.933 flat angles P-C4'-P energy: -32.153 tors. eta vs tors. theta energy: 9.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1418.957372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.957372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.957372 (E_RNA) where: Base-Base interactions energy: -979.449 where: short stacking energy: -432.159 Base-Backbone interact. energy: 1.433 local terms energy: -440.941774 where: bonds (distance) C4'-P energy: -72.695 bonds (distance) P-C4' energy: -78.120 flat angles C4'-P-C4' energy: -95.126 flat angles P-C4'-P energy: -61.169 tors. eta vs tors. theta energy: -133.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1347.282089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.282089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.282089 (E_RNA) where: Base-Base interactions energy: -923.108 where: short stacking energy: -409.836 Base-Backbone interact. energy: -2.871 local terms energy: -421.302556 where: bonds (distance) C4'-P energy: -77.929 bonds (distance) P-C4' energy: -71.427 flat angles C4'-P-C4' energy: -85.000 flat angles P-C4'-P energy: -62.991 tors. eta vs tors. theta energy: -123.956 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: 7 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1298.622041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.622041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.622041 (E_RNA) where: Base-Base interactions energy: -886.102 where: short stacking energy: -391.427 Base-Backbone interact. energy: -1.594 local terms energy: -410.926388 where: bonds (distance) C4'-P energy: -72.688 bonds (distance) P-C4' energy: -82.893 flat angles C4'-P-C4' energy: -90.522 flat angles P-C4'-P energy: -46.447 tors. eta vs tors. theta energy: -118.376 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: 248 Temperature: 1.050000 Total energy: -1216.279812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.279812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.279812 (E_RNA) where: Base-Base interactions energy: -844.104 where: short stacking energy: -343.595 Base-Backbone interact. energy: 0.800 local terms energy: -372.975732 where: bonds (distance) C4'-P energy: -74.483 bonds (distance) P-C4' energy: -71.417 flat angles C4'-P-C4' energy: -74.083 flat angles P-C4'-P energy: -51.736 tors. eta vs tors. theta energy: -101.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1169.145977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.145977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.145977 (E_RNA) where: Base-Base interactions energy: -809.780 where: short stacking energy: -332.975 Base-Backbone interact. energy: -0.063 local terms energy: -359.302777 where: bonds (distance) C4'-P energy: -67.800 bonds (distance) P-C4' energy: -69.191 flat angles C4'-P-C4' energy: -75.311 flat angles P-C4'-P energy: -54.005 tors. eta vs tors. theta energy: -92.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -944.761962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.761962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.761962 (E_RNA) where: Base-Base interactions energy: -616.558 where: short stacking energy: -282.301 Base-Backbone interact. energy: -1.063 local terms energy: -327.141392 where: bonds (distance) C4'-P energy: -58.972 bonds (distance) P-C4' energy: -73.971 flat angles C4'-P-C4' energy: -70.141 flat angles P-C4'-P energy: -50.940 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: 7, replica: 9 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -868.657782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.657782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.657782 (E_RNA) where: Base-Base interactions energy: -553.792 where: short stacking energy: -262.226 Base-Backbone interact. energy: -0.783 local terms energy: -314.083438 where: bonds (distance) C4'-P energy: -67.436 bonds (distance) P-C4' energy: -75.598 flat angles C4'-P-C4' energy: -54.758 flat angles P-C4'-P energy: -50.061 tors. eta vs tors. theta energy: -66.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -811.437882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.437882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.437882 (E_RNA) where: Base-Base interactions energy: -530.007 where: short stacking energy: -232.751 Base-Backbone interact. energy: 1.468 local terms energy: -282.899274 where: bonds (distance) C4'-P energy: -47.551 bonds (distance) P-C4' energy: -81.646 flat angles C4'-P-C4' energy: -66.560 flat angles P-C4'-P energy: -29.334 tors. eta vs tors. theta energy: -57.807 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: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -402.802523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.802523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.802523 (E_RNA) where: Base-Base interactions energy: -151.849 where: short stacking energy: -95.698 Base-Backbone interact. energy: -1.177 local terms energy: -249.776473 where: bonds (distance) C4'-P energy: -67.533 bonds (distance) P-C4' energy: -71.236 flat angles C4'-P-C4' energy: -63.917 flat angles P-C4'-P energy: -41.943 tors. eta vs tors. theta energy: -5.147 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: 5 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -474.916896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.916896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.916896 (E_RNA) where: Base-Base interactions energy: -242.961 where: short stacking energy: -128.314 Base-Backbone interact. energy: 0.849 local terms energy: -232.805455 where: bonds (distance) C4'-P energy: -61.486 bonds (distance) P-C4' energy: -64.913 flat angles C4'-P-C4' energy: -65.264 flat angles P-C4'-P energy: -35.762 tors. eta vs tors. theta energy: -5.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1399.794615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.794615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.794615 (E_RNA) where: Base-Base interactions energy: -956.994 where: short stacking energy: -428.368 Base-Backbone interact. energy: 0.271 local terms energy: -443.071233 where: bonds (distance) C4'-P energy: -79.211 bonds (distance) P-C4' energy: -74.000 flat angles C4'-P-C4' energy: -94.993 flat angles P-C4'-P energy: -62.400 tors. eta vs tors. theta energy: -132.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1325.599714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.599714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.599714 (E_RNA) where: Base-Base interactions energy: -899.874 where: short stacking energy: -410.839 Base-Backbone interact. energy: -0.575 local terms energy: -425.150918 where: bonds (distance) C4'-P energy: -78.111 bonds (distance) P-C4' energy: -70.466 flat angles C4'-P-C4' energy: -87.943 flat angles P-C4'-P energy: -56.343 tors. eta vs tors. theta energy: -132.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1319.842691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.842691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.842691 (E_RNA) where: Base-Base interactions energy: -914.742 where: short stacking energy: -400.526 Base-Backbone interact. energy: -2.470 local terms energy: -402.630844 where: bonds (distance) C4'-P energy: -67.590 bonds (distance) P-C4' energy: -69.090 flat angles C4'-P-C4' energy: -94.274 flat angles P-C4'-P energy: -60.136 tors. eta vs tors. theta energy: -111.541 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: 2 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1251.061644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.061644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.061644 (E_RNA) where: Base-Base interactions energy: -841.329 where: short stacking energy: -363.705 Base-Backbone interact. energy: -0.543 local terms energy: -409.189292 where: bonds (distance) C4'-P energy: -78.322 bonds (distance) P-C4' energy: -76.764 flat angles C4'-P-C4' energy: -88.916 flat angles P-C4'-P energy: -57.023 tors. eta vs tors. theta energy: -108.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1185.147826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.147826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.147826 (E_RNA) where: Base-Base interactions energy: -811.072 where: short stacking energy: -354.112 Base-Backbone interact. energy: -0.853 local terms energy: -373.223562 where: bonds (distance) C4'-P energy: -65.317 bonds (distance) P-C4' energy: -78.332 flat angles C4'-P-C4' energy: -74.455 flat angles P-C4'-P energy: -58.152 tors. eta vs tors. theta energy: -96.969 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: 6, replica: 6 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -938.796118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.796118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.796118 (E_RNA) where: Base-Base interactions energy: -610.497 where: short stacking energy: -285.248 Base-Backbone interact. energy: -0.941 local terms energy: -327.358206 where: bonds (distance) C4'-P energy: -59.132 bonds (distance) P-C4' energy: -79.369 flat angles C4'-P-C4' energy: -72.655 flat angles P-C4'-P energy: -44.157 tors. eta vs tors. theta energy: -72.046 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: 7, replica: 9 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -841.084826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.084826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.084826 (E_RNA) where: Base-Base interactions energy: -537.883 where: short stacking energy: -231.759 Base-Backbone interact. energy: 0.366 local terms energy: -303.567149 where: bonds (distance) C4'-P energy: -69.539 bonds (distance) P-C4' energy: -58.065 flat angles C4'-P-C4' energy: -72.539 flat angles P-C4'-P energy: -43.357 tors. eta vs tors. theta energy: -60.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -790.127132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.127132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.127132 (E_RNA) where: Base-Base interactions energy: -498.913 where: short stacking energy: -224.502 Base-Backbone interact. energy: 3.733 local terms energy: -294.946634 where: bonds (distance) C4'-P energy: -63.522 bonds (distance) P-C4' energy: -67.813 flat angles C4'-P-C4' energy: -69.890 flat angles P-C4'-P energy: -50.072 tors. eta vs tors. theta energy: -43.650 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: 1 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -356.940221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.940221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.940221 (E_RNA) where: Base-Base interactions energy: -141.125 where: short stacking energy: -122.604 Base-Backbone interact. energy: -0.821 local terms energy: -214.993411 where: bonds (distance) C4'-P energy: -53.442 bonds (distance) P-C4' energy: -71.549 flat angles C4'-P-C4' energy: -51.945 flat angles P-C4'-P energy: -27.331 tors. eta vs tors. theta energy: -10.726 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: 5 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -460.441429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.441429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.441429 (E_RNA) where: Base-Base interactions energy: -235.008 where: short stacking energy: -117.101 Base-Backbone interact. energy: 0.589 local terms energy: -226.022795 where: bonds (distance) C4'-P energy: -65.394 bonds (distance) P-C4' energy: -61.746 flat angles C4'-P-C4' energy: -59.560 flat angles P-C4'-P energy: -32.820 tors. eta vs tors. theta energy: -6.502 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: 4 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1409.669518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.669518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.669518 (E_RNA) where: Base-Base interactions energy: -980.789 where: short stacking energy: -410.649 Base-Backbone interact. energy: -0.833 local terms energy: -428.047636 where: bonds (distance) C4'-P energy: -78.005 bonds (distance) P-C4' energy: -71.510 flat angles C4'-P-C4' energy: -94.414 flat angles P-C4'-P energy: -58.767 tors. eta vs tors. theta energy: -125.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1326.122099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.122099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.122099 (E_RNA) where: Base-Base interactions energy: -910.922 where: short stacking energy: -423.463 Base-Backbone interact. energy: -0.456 local terms energy: -414.743775 where: bonds (distance) C4'-P energy: -74.724 bonds (distance) P-C4' energy: -72.254 flat angles C4'-P-C4' energy: -85.860 flat angles P-C4'-P energy: -55.310 tors. eta vs tors. theta energy: -126.596 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: 250 Temperature: 1.000000 Total energy: -1326.450757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.450757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.450757 (E_RNA) where: Base-Base interactions energy: -923.578 where: short stacking energy: -390.812 Base-Backbone interact. energy: -0.919 local terms energy: -401.954088 where: bonds (distance) C4'-P energy: -86.259 bonds (distance) P-C4' energy: -80.803 flat angles C4'-P-C4' energy: -80.492 flat angles P-C4'-P energy: -44.658 tors. eta vs tors. theta energy: -109.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1222.089956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.089956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.089956 (E_RNA) where: Base-Base interactions energy: -825.556 where: short stacking energy: -352.937 Base-Backbone interact. energy: -2.329 local terms energy: -394.204610 where: bonds (distance) C4'-P energy: -84.218 bonds (distance) P-C4' energy: -70.274 flat angles C4'-P-C4' energy: -78.183 flat angles P-C4'-P energy: -59.344 tors. eta vs tors. theta energy: -102.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1141.507548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.507548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.507548 (E_RNA) where: Base-Base interactions energy: -782.734 where: short stacking energy: -316.528 Base-Backbone interact. energy: -1.876 local terms energy: -356.897433 where: bonds (distance) C4'-P energy: -74.539 bonds (distance) P-C4' energy: -65.737 flat angles C4'-P-C4' energy: -72.945 flat angles P-C4'-P energy: -60.731 tors. eta vs tors. theta energy: -82.945 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: 6 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -966.280379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.280379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.280379 (E_RNA) where: Base-Base interactions energy: -626.993 where: short stacking energy: -289.315 Base-Backbone interact. energy: 0.179 local terms energy: -339.465964 where: bonds (distance) C4'-P energy: -79.113 bonds (distance) P-C4' energy: -61.256 flat angles C4'-P-C4' energy: -73.019 flat angles P-C4'-P energy: -52.572 tors. eta vs tors. theta energy: -73.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -802.742365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.742365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.742365 (E_RNA) where: Base-Base interactions energy: -533.792 where: short stacking energy: -251.056 Base-Backbone interact. energy: 5.817 local terms energy: -274.767496 where: bonds (distance) C4'-P energy: -63.024 bonds (distance) P-C4' energy: -59.916 flat angles C4'-P-C4' energy: -61.139 flat angles P-C4'-P energy: -43.609 tors. eta vs tors. theta energy: -47.080 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: 10 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -745.026169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.026169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.026169 (E_RNA) where: Base-Base interactions energy: -476.400 where: short stacking energy: -217.978 Base-Backbone interact. energy: -0.190 local terms energy: -268.436179 where: bonds (distance) C4'-P energy: -64.375 bonds (distance) P-C4' energy: -85.327 flat angles C4'-P-C4' energy: -54.253 flat angles P-C4'-P energy: -38.174 tors. eta vs tors. theta energy: -26.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -547.185473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.185473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.185473 (E_RNA) where: Base-Base interactions energy: -295.582 where: short stacking energy: -148.124 Base-Backbone interact. energy: 0.320 local terms energy: -251.923578 where: bonds (distance) C4'-P energy: -64.825 bonds (distance) P-C4' energy: -78.569 flat angles C4'-P-C4' energy: -61.025 flat angles P-C4'-P energy: -30.962 tors. eta vs tors. theta energy: -16.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -338.936206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.936206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.936206 (E_RNA) where: Base-Base interactions energy: -134.494 where: short stacking energy: -100.427 Base-Backbone interact. energy: -2.943 local terms energy: -201.499389 where: bonds (distance) C4'-P energy: -60.955 bonds (distance) P-C4' energy: -71.399 flat angles C4'-P-C4' energy: -49.487 flat angles P-C4'-P energy: -25.621 tors. eta vs tors. theta energy: 5.963 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: 4 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1404.832335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.832335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.832335 (E_RNA) where: Base-Base interactions energy: -977.680 where: short stacking energy: -416.060 Base-Backbone interact. energy: 1.233 local terms energy: -428.385449 where: bonds (distance) C4'-P energy: -69.658 bonds (distance) P-C4' energy: -74.952 flat angles C4'-P-C4' energy: -93.970 flat angles P-C4'-P energy: -64.036 tors. eta vs tors. theta energy: -125.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1333.314086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.314086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.314086 (E_RNA) where: Base-Base interactions energy: -933.537 where: short stacking energy: -410.587 Base-Backbone interact. energy: -2.398 local terms energy: -397.379308 where: bonds (distance) C4'-P energy: -77.872 bonds (distance) P-C4' energy: -69.791 flat angles C4'-P-C4' energy: -84.746 flat angles P-C4'-P energy: -56.452 tors. eta vs tors. theta energy: -108.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1282.928002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.928002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.928002 (E_RNA) where: Base-Base interactions energy: -874.254 where: short stacking energy: -391.751 Base-Backbone interact. energy: -1.814 local terms energy: -406.859938 where: bonds (distance) C4'-P energy: -66.172 bonds (distance) P-C4' energy: -74.990 flat angles C4'-P-C4' energy: -86.374 flat angles P-C4'-P energy: -52.415 tors. eta vs tors. theta energy: -126.908 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: 4, replica: 2 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1233.745327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.745327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.745327 (E_RNA) where: Base-Base interactions energy: -844.099 where: short stacking energy: -367.113 Base-Backbone interact. energy: -2.926 local terms energy: -386.719790 where: bonds (distance) C4'-P energy: -66.253 bonds (distance) P-C4' energy: -75.397 flat angles C4'-P-C4' energy: -80.732 flat angles P-C4'-P energy: -51.174 tors. eta vs tors. theta energy: -113.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1102.142303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.142303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.142303 (E_RNA) where: Base-Base interactions energy: -786.337 where: short stacking energy: -331.006 Base-Backbone interact. energy: -1.430 local terms energy: -314.375409 where: bonds (distance) C4'-P energy: -53.963 bonds (distance) P-C4' energy: -69.393 flat angles C4'-P-C4' energy: -68.564 flat angles P-C4'-P energy: -48.304 tors. eta vs tors. theta energy: -74.152 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: 6, replica: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1058.059711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.059711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.059711 (E_RNA) where: Base-Base interactions energy: -698.679 where: short stacking energy: -299.211 Base-Backbone interact. energy: -0.760 local terms energy: -358.620713 where: bonds (distance) C4'-P energy: -70.675 bonds (distance) P-C4' energy: -62.803 flat angles C4'-P-C4' energy: -82.870 flat angles P-C4'-P energy: -57.070 tors. eta vs tors. theta energy: -85.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -810.283275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.283275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.283275 (E_RNA) where: Base-Base interactions energy: -537.652 where: short stacking energy: -219.100 Base-Backbone interact. energy: -1.379 local terms energy: -271.252365 where: bonds (distance) C4'-P energy: -66.148 bonds (distance) P-C4' energy: -68.556 flat angles C4'-P-C4' energy: -64.038 flat angles P-C4'-P energy: -33.444 tors. eta vs tors. theta energy: -39.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -758.740685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.740685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.740685 (E_RNA) where: Base-Base interactions energy: -491.748 where: short stacking energy: -202.114 Base-Backbone interact. energy: 0.062 local terms energy: -267.055115 where: bonds (distance) C4'-P energy: -64.611 bonds (distance) P-C4' energy: -66.594 flat angles C4'-P-C4' energy: -52.867 flat angles P-C4'-P energy: -49.474 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: 5 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -537.832700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.832700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.832700 (E_RNA) where: Base-Base interactions energy: -304.709 where: short stacking energy: -164.042 Base-Backbone interact. energy: -1.562 local terms energy: -231.561231 where: bonds (distance) C4'-P energy: -61.651 bonds (distance) P-C4' energy: -57.721 flat angles C4'-P-C4' energy: -73.720 flat angles P-C4'-P energy: -31.671 tors. eta vs tors. theta energy: -6.797 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: 1 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -323.519236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.519236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.519236 (E_RNA) where: Base-Base interactions energy: -104.316 where: short stacking energy: -92.173 Base-Backbone interact. energy: -0.338 local terms energy: -218.864900 where: bonds (distance) C4'-P energy: -65.855 bonds (distance) P-C4' energy: -64.858 flat angles C4'-P-C4' energy: -61.875 flat angles P-C4'-P energy: -39.928 tors. eta vs tors. theta energy: 13.650 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: 4 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1420.652777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.652777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.652777 (E_RNA) where: Base-Base interactions energy: -983.511 where: short stacking energy: -435.606 Base-Backbone interact. energy: -0.269 local terms energy: -436.872700 where: bonds (distance) C4'-P energy: -86.062 bonds (distance) P-C4' energy: -71.358 flat angles C4'-P-C4' energy: -95.911 flat angles P-C4'-P energy: -57.689 tors. eta vs tors. theta energy: -125.852 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: 2, replica: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1337.019237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.019237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.019237 (E_RNA) where: Base-Base interactions energy: -917.500 where: short stacking energy: -387.879 Base-Backbone interact. energy: 0.461 local terms energy: -419.980715 where: bonds (distance) C4'-P energy: -80.100 bonds (distance) P-C4' energy: -80.480 flat angles C4'-P-C4' energy: -88.603 flat angles P-C4'-P energy: -55.873 tors. eta vs tors. theta energy: -114.925 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: 3, replica: 2 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1252.760720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.760720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.760720 (E_RNA) where: Base-Base interactions energy: -875.100 where: short stacking energy: -369.137 Base-Backbone interact. energy: -1.908 local terms energy: -375.753194 where: bonds (distance) C4'-P energy: -54.194 bonds (distance) P-C4' energy: -72.900 flat angles C4'-P-C4' energy: -78.511 flat angles P-C4'-P energy: -57.166 tors. eta vs tors. theta energy: -112.982 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: 7 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1255.727203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.727203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.727203 (E_RNA) where: Base-Base interactions energy: -859.614 where: short stacking energy: -394.865 Base-Backbone interact. energy: -1.304 local terms energy: -394.809321 where: bonds (distance) C4'-P energy: -60.499 bonds (distance) P-C4' energy: -64.757 flat angles C4'-P-C4' energy: -85.505 flat angles P-C4'-P energy: -58.488 tors. eta vs tors. theta energy: -125.561 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: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1092.435121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.435121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.435121 (E_RNA) where: Base-Base interactions energy: -748.748 where: short stacking energy: -331.171 Base-Backbone interact. energy: -2.117 local terms energy: -341.570355 where: bonds (distance) C4'-P energy: -74.766 bonds (distance) P-C4' energy: -55.732 flat angles C4'-P-C4' energy: -78.906 flat angles P-C4'-P energy: -41.452 tors. eta vs tors. theta energy: -90.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1061.109459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.109459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.109459 (E_RNA) where: Base-Base interactions energy: -731.107 where: short stacking energy: -308.813 Base-Backbone interact. energy: 5.521 local terms energy: -335.523472 where: bonds (distance) C4'-P energy: -65.655 bonds (distance) P-C4' energy: -56.279 flat angles C4'-P-C4' energy: -78.703 flat angles P-C4'-P energy: -54.960 tors. eta vs tors. theta energy: -79.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -828.985413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.985413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.985413 (E_RNA) where: Base-Base interactions energy: -525.915 where: short stacking energy: -250.407 Base-Backbone interact. energy: -0.748 local terms energy: -302.322232 where: bonds (distance) C4'-P energy: -62.362 bonds (distance) P-C4' energy: -78.770 flat angles C4'-P-C4' energy: -70.988 flat angles P-C4'-P energy: -43.831 tors. eta vs tors. theta energy: -46.371 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: 252 Temperature: 1.250000 Total energy: -796.317748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.317748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.317748 (E_RNA) where: Base-Base interactions energy: -510.867 where: short stacking energy: -237.556 Base-Backbone interact. energy: -0.160 local terms energy: -285.291045 where: bonds (distance) C4'-P energy: -65.270 bonds (distance) P-C4' energy: -78.777 flat angles C4'-P-C4' energy: -61.117 flat angles P-C4'-P energy: -37.074 tors. eta vs tors. theta energy: -43.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -525.903606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.903606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.903606 (E_RNA) where: Base-Base interactions energy: -297.971 where: short stacking energy: -139.304 Base-Backbone interact. energy: -0.722 local terms energy: -227.210667 where: bonds (distance) C4'-P energy: -72.659 bonds (distance) P-C4' energy: -53.451 flat angles C4'-P-C4' energy: -64.554 flat angles P-C4'-P energy: -34.375 tors. eta vs tors. theta energy: -2.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -318.791291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.791291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.791291 (E_RNA) where: Base-Base interactions energy: -113.203 where: short stacking energy: -107.663 Base-Backbone interact. energy: -0.911 local terms energy: -204.677569 where: bonds (distance) C4'-P energy: -61.951 bonds (distance) P-C4' energy: -73.548 flat angles C4'-P-C4' energy: -56.869 flat angles P-C4'-P energy: -28.446 tors. eta vs tors. theta energy: 16.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1426.193771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.193771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.193771 (E_RNA) where: Base-Base interactions energy: -975.477 where: short stacking energy: -423.293 Base-Backbone interact. energy: -1.659 local terms energy: -449.057890 where: bonds (distance) C4'-P energy: -70.992 bonds (distance) P-C4' energy: -84.500 flat angles C4'-P-C4' energy: -96.092 flat angles P-C4'-P energy: -64.955 tors. eta vs tors. theta energy: -132.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1320.703543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.703543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.703543 (E_RNA) where: Base-Base interactions energy: -916.099 where: short stacking energy: -392.590 Base-Backbone interact. energy: -2.159 local terms energy: -402.445134 where: bonds (distance) C4'-P energy: -77.056 bonds (distance) P-C4' energy: -69.799 flat angles C4'-P-C4' energy: -85.875 flat angles P-C4'-P energy: -60.724 tors. eta vs tors. theta energy: -108.992 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: 253 Temperature: 1.000000 Total energy: -1260.255347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.255347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.255347 (E_RNA) where: Base-Base interactions energy: -883.167 where: short stacking energy: -373.304 Base-Backbone interact. energy: -4.185 local terms energy: -372.903436 where: bonds (distance) C4'-P energy: -73.662 bonds (distance) P-C4' energy: -60.141 flat angles C4'-P-C4' energy: -78.464 flat angles P-C4'-P energy: -53.930 tors. eta vs tors. theta energy: -106.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1260.405018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.405018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.405018 (E_RNA) where: Base-Base interactions energy: -843.328 where: short stacking energy: -379.783 Base-Backbone interact. energy: -2.560 local terms energy: -414.516666 where: bonds (distance) C4'-P energy: -73.427 bonds (distance) P-C4' energy: -73.324 flat angles C4'-P-C4' energy: -77.895 flat angles P-C4'-P energy: -67.604 tors. eta vs tors. theta energy: -122.266 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: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1087.225397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.225397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.225397 (E_RNA) where: Base-Base interactions energy: -724.749 where: short stacking energy: -318.316 Base-Backbone interact. energy: -1.057 local terms energy: -361.418769 where: bonds (distance) C4'-P energy: -79.238 bonds (distance) P-C4' energy: -62.858 flat angles C4'-P-C4' energy: -78.738 flat angles P-C4'-P energy: -41.984 tors. eta vs tors. theta energy: -98.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1071.328066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.328066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.328066 (E_RNA) where: Base-Base interactions energy: -742.055 where: short stacking energy: -296.126 Base-Backbone interact. energy: -2.428 local terms energy: -326.845470 where: bonds (distance) C4'-P energy: -72.358 bonds (distance) P-C4' energy: -64.272 flat angles C4'-P-C4' energy: -71.038 flat angles P-C4'-P energy: -38.619 tors. eta vs tors. theta energy: -80.559 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: 9 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -824.234101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.234101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.234101 (E_RNA) where: Base-Base interactions energy: -523.783 where: short stacking energy: -247.397 Base-Backbone interact. energy: -3.491 local terms energy: -296.959441 where: bonds (distance) C4'-P energy: -62.303 bonds (distance) P-C4' energy: -64.437 flat angles C4'-P-C4' energy: -57.481 flat angles P-C4'-P energy: -52.735 tors. eta vs tors. theta energy: -60.003 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: 10 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -839.910584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.910584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.910584 (E_RNA) where: Base-Base interactions energy: -543.815 where: short stacking energy: -230.634 Base-Backbone interact. energy: -0.224 local terms energy: -295.871861 where: bonds (distance) C4'-P energy: -68.768 bonds (distance) P-C4' energy: -72.629 flat angles C4'-P-C4' energy: -66.111 flat angles P-C4'-P energy: -39.431 tors. eta vs tors. theta energy: -48.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -525.159922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.159922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.159922 (E_RNA) where: Base-Base interactions energy: -287.451 where: short stacking energy: -148.301 Base-Backbone interact. energy: -0.529 local terms energy: -237.179753 where: bonds (distance) C4'-P energy: -63.100 bonds (distance) P-C4' energy: -64.271 flat angles C4'-P-C4' energy: -65.904 flat angles P-C4'-P energy: -47.506 tors. eta vs tors. theta energy: 3.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -356.949680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.949680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.949680 (E_RNA) where: Base-Base interactions energy: -157.927 where: short stacking energy: -121.815 Base-Backbone interact. energy: 0.285 local terms energy: -199.307629 where: bonds (distance) C4'-P energy: -48.564 bonds (distance) P-C4' energy: -68.260 flat angles C4'-P-C4' energy: -53.065 flat angles P-C4'-P energy: -25.217 tors. eta vs tors. theta energy: -4.202 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: 1, replica: 4 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1418.326475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.326475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.326475 (E_RNA) where: Base-Base interactions energy: -962.707 where: short stacking energy: -401.642 Base-Backbone interact. energy: -2.008 local terms energy: -453.611327 where: bonds (distance) C4'-P energy: -86.573 bonds (distance) P-C4' energy: -79.937 flat angles C4'-P-C4' energy: -91.372 flat angles P-C4'-P energy: -63.776 tors. eta vs tors. theta energy: -131.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1353.265202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.265202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.265202 (E_RNA) where: Base-Base interactions energy: -926.218 where: short stacking energy: -411.365 Base-Backbone interact. energy: -1.433 local terms energy: -425.614579 where: bonds (distance) C4'-P energy: -78.294 bonds (distance) P-C4' energy: -76.643 flat angles C4'-P-C4' energy: -90.028 flat angles P-C4'-P energy: -60.624 tors. eta vs tors. theta energy: -120.026 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: 2 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1240.388044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.388044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.388044 (E_RNA) where: Base-Base interactions energy: -838.131 where: short stacking energy: -376.215 Base-Backbone interact. energy: -2.222 local terms energy: -400.035372 where: bonds (distance) C4'-P energy: -73.591 bonds (distance) P-C4' energy: -76.066 flat angles C4'-P-C4' energy: -81.540 flat angles P-C4'-P energy: -54.909 tors. eta vs tors. theta energy: -113.931 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: 7 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1191.240278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.240278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.240278 (E_RNA) where: Base-Base interactions energy: -776.211 where: short stacking energy: -372.960 Base-Backbone interact. energy: -1.642 local terms energy: -413.387369 where: bonds (distance) C4'-P energy: -65.893 bonds (distance) P-C4' energy: -89.690 flat angles C4'-P-C4' energy: -88.702 flat angles P-C4'-P energy: -57.816 tors. eta vs tors. theta energy: -111.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1081.029176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.029176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.029176 (E_RNA) where: Base-Base interactions energy: -721.358 where: short stacking energy: -348.994 Base-Backbone interact. energy: 3.331 local terms energy: -363.002001 where: bonds (distance) C4'-P energy: -77.458 bonds (distance) P-C4' energy: -56.608 flat angles C4'-P-C4' energy: -84.856 flat angles P-C4'-P energy: -46.250 tors. eta vs tors. theta energy: -97.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1041.904298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.904298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.904298 (E_RNA) where: Base-Base interactions energy: -702.995 where: short stacking energy: -282.957 Base-Backbone interact. energy: 3.035 local terms energy: -341.944056 where: bonds (distance) C4'-P energy: -82.081 bonds (distance) P-C4' energy: -69.245 flat angles C4'-P-C4' energy: -73.499 flat angles P-C4'-P energy: -41.096 tors. eta vs tors. theta energy: -76.023 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: 10 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -915.616389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.616389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.616389 (E_RNA) where: Base-Base interactions energy: -612.295 where: short stacking energy: -267.771 Base-Backbone interact. energy: -2.712 local terms energy: -300.609106 where: bonds (distance) C4'-P energy: -62.864 bonds (distance) P-C4' energy: -76.070 flat angles C4'-P-C4' energy: -53.163 flat angles P-C4'-P energy: -58.764 tors. eta vs tors. theta energy: -49.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -833.602358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.602358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.602358 (E_RNA) where: Base-Base interactions energy: -528.342 where: short stacking energy: -247.341 Base-Backbone interact. energy: 0.400 local terms energy: -305.660930 where: bonds (distance) C4'-P energy: -71.915 bonds (distance) P-C4' energy: -74.939 flat angles C4'-P-C4' energy: -70.581 flat angles P-C4'-P energy: -32.233 tors. eta vs tors. theta energy: -55.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -503.805738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.805738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.805738 (E_RNA) where: Base-Base interactions energy: -272.852 where: short stacking energy: -162.871 Base-Backbone interact. energy: 3.454 local terms energy: -234.407837 where: bonds (distance) C4'-P energy: -58.072 bonds (distance) P-C4' energy: -65.725 flat angles C4'-P-C4' energy: -56.533 flat angles P-C4'-P energy: -35.796 tors. eta vs tors. theta energy: -18.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -390.030925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.030925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.030925 (E_RNA) where: Base-Base interactions energy: -160.039 where: short stacking energy: -111.272 Base-Backbone interact. energy: 0.030 local terms energy: -230.021077 where: bonds (distance) C4'-P energy: -66.867 bonds (distance) P-C4' energy: -60.173 flat angles C4'-P-C4' energy: -57.933 flat angles P-C4'-P energy: -45.277 tors. eta vs tors. theta energy: 0.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1407.419306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.419306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.419306 (E_RNA) where: Base-Base interactions energy: -966.059 where: short stacking energy: -414.339 Base-Backbone interact. energy: -1.475 local terms energy: -439.884788 where: bonds (distance) C4'-P energy: -77.386 bonds (distance) P-C4' energy: -83.556 flat angles C4'-P-C4' energy: -93.101 flat angles P-C4'-P energy: -53.443 tors. eta vs tors. theta energy: -132.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1340.010794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.010794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.010794 (E_RNA) where: Base-Base interactions energy: -937.389 where: short stacking energy: -411.178 Base-Backbone interact. energy: -0.011 local terms energy: -402.611180 where: bonds (distance) C4'-P energy: -74.900 bonds (distance) P-C4' energy: -72.911 flat angles C4'-P-C4' energy: -82.789 flat angles P-C4'-P energy: -57.495 tors. eta vs tors. theta energy: -114.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1256.378186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.378186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.378186 (E_RNA) where: Base-Base interactions energy: -859.251 where: short stacking energy: -359.584 Base-Backbone interact. energy: -4.690 local terms energy: -392.437717 where: bonds (distance) C4'-P energy: -64.474 bonds (distance) P-C4' energy: -85.682 flat angles C4'-P-C4' energy: -89.353 flat angles P-C4'-P energy: -46.988 tors. eta vs tors. theta energy: -105.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1196.335514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.335514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.335514 (E_RNA) where: Base-Base interactions energy: -803.910 where: short stacking energy: -365.334 Base-Backbone interact. energy: 0.520 local terms energy: -392.946110 where: bonds (distance) C4'-P energy: -64.375 bonds (distance) P-C4' energy: -75.481 flat angles C4'-P-C4' energy: -89.418 flat angles P-C4'-P energy: -54.283 tors. eta vs tors. theta energy: -109.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1135.536893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.536893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.536893 (E_RNA) where: Base-Base interactions energy: -765.692 where: short stacking energy: -348.080 Base-Backbone interact. energy: -0.417 local terms energy: -369.427187 where: bonds (distance) C4'-P energy: -62.123 bonds (distance) P-C4' energy: -72.380 flat angles C4'-P-C4' energy: -94.992 flat angles P-C4'-P energy: -49.146 tors. eta vs tors. theta energy: -90.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1055.863312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.863312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.863312 (E_RNA) where: Base-Base interactions energy: -714.112 where: short stacking energy: -306.489 Base-Backbone interact. energy: -0.745 local terms energy: -341.005999 where: bonds (distance) C4'-P energy: -72.721 bonds (distance) P-C4' energy: -71.897 flat angles C4'-P-C4' energy: -73.839 flat angles P-C4'-P energy: -44.992 tors. eta vs tors. theta energy: -77.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -862.319365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.319365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.319365 (E_RNA) where: Base-Base interactions energy: -585.923 where: short stacking energy: -255.735 Base-Backbone interact. energy: 1.749 local terms energy: -278.145377 where: bonds (distance) C4'-P energy: -60.538 bonds (distance) P-C4' energy: -77.581 flat angles C4'-P-C4' energy: -59.632 flat angles P-C4'-P energy: -32.916 tors. eta vs tors. theta energy: -47.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -760.874981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.874981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.874981 (E_RNA) where: Base-Base interactions energy: -471.118 where: short stacking energy: -222.739 Base-Backbone interact. energy: 0.312 local terms energy: -290.069338 where: bonds (distance) C4'-P energy: -63.466 bonds (distance) P-C4' energy: -68.881 flat angles C4'-P-C4' energy: -61.645 flat angles P-C4'-P energy: -54.251 tors. eta vs tors. theta energy: -41.826 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: 5 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -528.990905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.990905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.990905 (E_RNA) where: Base-Base interactions energy: -304.437 where: short stacking energy: -170.565 Base-Backbone interact. energy: 0.444 local terms energy: -224.998029 where: bonds (distance) C4'-P energy: -69.269 bonds (distance) P-C4' energy: -41.578 flat angles C4'-P-C4' energy: -53.783 flat angles P-C4'-P energy: -37.156 tors. eta vs tors. theta energy: -23.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -359.662679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.662679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.662679 (E_RNA) where: Base-Base interactions energy: -140.628 where: short stacking energy: -103.998 Base-Backbone interact. energy: 0.829 local terms energy: -219.863062 where: bonds (distance) C4'-P energy: -50.659 bonds (distance) P-C4' energy: -67.836 flat angles C4'-P-C4' energy: -62.183 flat angles P-C4'-P energy: -33.670 tors. eta vs tors. theta energy: -5.514 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: 1, replica: 3 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1369.008496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.008496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.008496 (E_RNA) where: Base-Base interactions energy: -930.741 where: short stacking energy: -419.563 Base-Backbone interact. energy: -1.879 local terms energy: -436.389143 where: bonds (distance) C4'-P energy: -78.048 bonds (distance) P-C4' energy: -80.926 flat angles C4'-P-C4' energy: -91.607 flat angles P-C4'-P energy: -61.499 tors. eta vs tors. theta energy: -124.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1392.719189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.719189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.719189 (E_RNA) where: Base-Base interactions energy: -957.283 where: short stacking energy: -407.000 Base-Backbone interact. energy: 0.825 local terms energy: -436.261461 where: bonds (distance) C4'-P energy: -83.225 bonds (distance) P-C4' energy: -75.550 flat angles C4'-P-C4' energy: -91.154 flat angles P-C4'-P energy: -51.922 tors. eta vs tors. theta energy: -134.411 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: 2 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1288.642525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.642525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.642525 (E_RNA) where: Base-Base interactions energy: -871.306 where: short stacking energy: -370.622 Base-Backbone interact. energy: -3.571 local terms energy: -413.765651 where: bonds (distance) C4'-P energy: -75.379 bonds (distance) P-C4' energy: -79.935 flat angles C4'-P-C4' energy: -81.935 flat angles P-C4'-P energy: -57.900 tors. eta vs tors. theta energy: -118.617 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: 4, replica: 7 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1199.221151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.221151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.221151 (E_RNA) where: Base-Base interactions energy: -803.881 where: short stacking energy: -363.413 Base-Backbone interact. energy: -0.345 local terms energy: -394.994858 where: bonds (distance) C4'-P energy: -69.949 bonds (distance) P-C4' energy: -72.327 flat angles C4'-P-C4' energy: -89.464 flat angles P-C4'-P energy: -54.447 tors. eta vs tors. theta energy: -108.808 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: 5, replica: 6 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1128.767148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.767148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.767148 (E_RNA) where: Base-Base interactions energy: -753.976 where: short stacking energy: -328.261 Base-Backbone interact. energy: 0.352 local terms energy: -375.143022 where: bonds (distance) C4'-P energy: -69.188 bonds (distance) P-C4' energy: -83.708 flat angles C4'-P-C4' energy: -82.419 flat angles P-C4'-P energy: -53.573 tors. eta vs tors. theta energy: -86.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1043.677345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.677345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.677345 (E_RNA) where: Base-Base interactions energy: -685.598 where: short stacking energy: -305.205 Base-Backbone interact. energy: -0.023 local terms energy: -358.055654 where: bonds (distance) C4'-P energy: -68.323 bonds (distance) P-C4' energy: -83.648 flat angles C4'-P-C4' energy: -73.243 flat angles P-C4'-P energy: -51.532 tors. eta vs tors. theta energy: -81.310 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: 10 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -899.802965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.802965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.802965 (E_RNA) where: Base-Base interactions energy: -584.978 where: short stacking energy: -241.623 Base-Backbone interact. energy: -0.488 local terms energy: -314.337881 where: bonds (distance) C4'-P energy: -80.695 bonds (distance) P-C4' energy: -60.066 flat angles C4'-P-C4' energy: -73.807 flat angles P-C4'-P energy: -43.801 tors. eta vs tors. theta energy: -55.968 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: 9 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -777.319308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.319308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.319308 (E_RNA) where: Base-Base interactions energy: -487.914 where: short stacking energy: -227.973 Base-Backbone interact. energy: -2.541 local terms energy: -286.864647 where: bonds (distance) C4'-P energy: -58.068 bonds (distance) P-C4' energy: -68.740 flat angles C4'-P-C4' energy: -64.918 flat angles P-C4'-P energy: -46.521 tors. eta vs tors. theta energy: -48.618 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: 5 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -561.242450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.242450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.242450 (E_RNA) where: Base-Base interactions energy: -279.423 where: short stacking energy: -153.317 Base-Backbone interact. energy: -1.817 local terms energy: -280.002447 where: bonds (distance) C4'-P energy: -71.170 bonds (distance) P-C4' energy: -73.045 flat angles C4'-P-C4' energy: -71.806 flat angles P-C4'-P energy: -38.088 tors. eta vs tors. theta energy: -25.894 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: 1 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -320.808959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.808959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.808959 (E_RNA) where: Base-Base interactions energy: -114.940 where: short stacking energy: -98.144 Base-Backbone interact. energy: 0.451 local terms energy: -206.319661 where: bonds (distance) C4'-P energy: -68.410 bonds (distance) P-C4' energy: -68.388 flat angles C4'-P-C4' energy: -41.865 flat angles P-C4'-P energy: -40.145 tors. eta vs tors. theta energy: 12.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1365.975321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.975321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.975321 (E_RNA) where: Base-Base interactions energy: -933.285 where: short stacking energy: -421.932 Base-Backbone interact. energy: -1.538 local terms energy: -431.153061 where: bonds (distance) C4'-P energy: -73.072 bonds (distance) P-C4' energy: -83.697 flat angles C4'-P-C4' energy: -90.312 flat angles P-C4'-P energy: -61.295 tors. eta vs tors. theta energy: -122.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1376.909215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.909215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.909215 (E_RNA) where: Base-Base interactions energy: -936.747 where: short stacking energy: -411.219 Base-Backbone interact. energy: -1.414 local terms energy: -438.747312 where: bonds (distance) C4'-P energy: -76.394 bonds (distance) P-C4' energy: -72.195 flat angles C4'-P-C4' energy: -94.715 flat angles P-C4'-P energy: -64.136 tors. eta vs tors. theta energy: -131.307 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: 2 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1268.508802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.508802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.508802 (E_RNA) where: Base-Base interactions energy: -869.988 where: short stacking energy: -389.468 Base-Backbone interact. energy: -0.785 local terms energy: -397.735771 where: bonds (distance) C4'-P energy: -70.279 bonds (distance) P-C4' energy: -72.099 flat angles C4'-P-C4' energy: -91.686 flat angles P-C4'-P energy: -55.542 tors. eta vs tors. theta energy: -108.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1206.373008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.373008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.373008 (E_RNA) where: Base-Base interactions energy: -807.101 where: short stacking energy: -367.182 Base-Backbone interact. energy: -2.033 local terms energy: -397.238358 where: bonds (distance) C4'-P energy: -77.432 bonds (distance) P-C4' energy: -67.110 flat angles C4'-P-C4' energy: -80.865 flat angles P-C4'-P energy: -57.813 tors. eta vs tors. theta energy: -114.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1145.280501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.280501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.280501 (E_RNA) where: Base-Base interactions energy: -769.327 where: short stacking energy: -346.754 Base-Backbone interact. energy: -1.046 local terms energy: -374.907342 where: bonds (distance) C4'-P energy: -66.885 bonds (distance) P-C4' energy: -81.021 flat angles C4'-P-C4' energy: -82.207 flat angles P-C4'-P energy: -50.192 tors. eta vs tors. theta energy: -94.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1034.327837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.327837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.327837 (E_RNA) where: Base-Base interactions energy: -708.892 where: short stacking energy: -308.838 Base-Backbone interact. energy: -1.074 local terms energy: -324.362274 where: bonds (distance) C4'-P energy: -67.197 bonds (distance) P-C4' energy: -61.925 flat angles C4'-P-C4' energy: -60.870 flat angles P-C4'-P energy: -53.980 tors. eta vs tors. theta energy: -80.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -872.802446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.802446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.802446 (E_RNA) where: Base-Base interactions energy: -565.338 where: short stacking energy: -246.261 Base-Backbone interact. energy: -1.757 local terms energy: -305.707291 where: bonds (distance) C4'-P energy: -66.788 bonds (distance) P-C4' energy: -64.642 flat angles C4'-P-C4' energy: -75.048 flat angles P-C4'-P energy: -40.419 tors. eta vs tors. theta energy: -58.810 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: 257 Temperature: 1.250000 Total energy: -769.562665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.562665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.562665 (E_RNA) where: Base-Base interactions energy: -489.874 where: short stacking energy: -217.759 Base-Backbone interact. energy: -0.655 local terms energy: -279.033626 where: bonds (distance) C4'-P energy: -63.709 bonds (distance) P-C4' energy: -75.314 flat angles C4'-P-C4' energy: -65.885 flat angles P-C4'-P energy: -30.360 tors. eta vs tors. theta energy: -43.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -569.944134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.944134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.944134 (E_RNA) where: Base-Base interactions energy: -299.262 where: short stacking energy: -175.511 Base-Backbone interact. energy: -2.254 local terms energy: -268.427302 where: bonds (distance) C4'-P energy: -67.054 bonds (distance) P-C4' energy: -65.266 flat angles C4'-P-C4' energy: -72.227 flat angles P-C4'-P energy: -39.200 tors. eta vs tors. theta energy: -24.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -339.640650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.640650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.640650 (E_RNA) where: Base-Base interactions energy: -135.616 where: short stacking energy: -94.957 Base-Backbone interact. energy: -1.530 local terms energy: -202.494366 where: bonds (distance) C4'-P energy: -65.061 bonds (distance) P-C4' energy: -64.772 flat angles C4'-P-C4' energy: -52.469 flat angles P-C4'-P energy: -31.092 tors. eta vs tors. theta energy: 10.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1400.889552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.889552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.889552 (E_RNA) where: Base-Base interactions energy: -963.648 where: short stacking energy: -412.552 Base-Backbone interact. energy: -2.978 local terms energy: -434.263509 where: bonds (distance) C4'-P energy: -74.830 bonds (distance) P-C4' energy: -75.525 flat angles C4'-P-C4' energy: -93.638 flat angles P-C4'-P energy: -63.206 tors. eta vs tors. theta energy: -127.064 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: 258 Temperature: 0.950000 Total energy: -1348.090845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.090845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.090845 (E_RNA) where: Base-Base interactions energy: -917.795 where: short stacking energy: -398.038 Base-Backbone interact. energy: -2.612 local terms energy: -427.683575 where: bonds (distance) C4'-P energy: -79.315 bonds (distance) P-C4' energy: -81.225 flat angles C4'-P-C4' energy: -94.541 flat angles P-C4'-P energy: -53.661 tors. eta vs tors. theta energy: -118.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1273.599051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.599051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.599051 (E_RNA) where: Base-Base interactions energy: -874.816 where: short stacking energy: -364.277 Base-Backbone interact. energy: -3.430 local terms energy: -395.352373 where: bonds (distance) C4'-P energy: -70.928 bonds (distance) P-C4' energy: -72.059 flat angles C4'-P-C4' energy: -82.713 flat angles P-C4'-P energy: -60.349 tors. eta vs tors. theta energy: -109.304 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: 7 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1219.697575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.697575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.697575 (E_RNA) where: Base-Base interactions energy: -831.938 where: short stacking energy: -382.036 Base-Backbone interact. energy: -1.788 local terms energy: -385.971934 where: bonds (distance) C4'-P energy: -68.194 bonds (distance) P-C4' energy: -69.586 flat angles C4'-P-C4' energy: -81.504 flat angles P-C4'-P energy: -55.693 tors. eta vs tors. theta energy: -110.996 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: 8 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1056.330708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.330708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.330708 (E_RNA) where: Base-Base interactions energy: -721.635 where: short stacking energy: -326.674 Base-Backbone interact. energy: -1.539 local terms energy: -333.156774 where: bonds (distance) C4'-P energy: -56.335 bonds (distance) P-C4' energy: -65.901 flat angles C4'-P-C4' energy: -77.199 flat angles P-C4'-P energy: -52.217 tors. eta vs tors. theta energy: -81.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1093.563071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.563071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.563071 (E_RNA) where: Base-Base interactions energy: -718.493 where: short stacking energy: -338.389 Base-Backbone interact. energy: -3.091 local terms energy: -371.979315 where: bonds (distance) C4'-P energy: -75.156 bonds (distance) P-C4' energy: -71.093 flat angles C4'-P-C4' energy: -80.126 flat angles P-C4'-P energy: -54.964 tors. eta vs tors. theta energy: -90.641 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: 10 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -912.813869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.813869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.813869 (E_RNA) where: Base-Base interactions energy: -604.691 where: short stacking energy: -273.383 Base-Backbone interact. energy: -2.034 local terms energy: -306.088537 where: bonds (distance) C4'-P energy: -57.690 bonds (distance) P-C4' energy: -67.990 flat angles C4'-P-C4' energy: -73.062 flat angles P-C4'-P energy: -44.296 tors. eta vs tors. theta energy: -63.051 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: 9 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -753.333964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.333964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.333964 (E_RNA) where: Base-Base interactions energy: -452.889 where: short stacking energy: -191.993 Base-Backbone interact. energy: -0.635 local terms energy: -299.810295 where: bonds (distance) C4'-P energy: -75.430 bonds (distance) P-C4' energy: -75.165 flat angles C4'-P-C4' energy: -72.250 flat angles P-C4'-P energy: -44.853 tors. eta vs tors. theta energy: -32.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -505.582726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.582726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.582726 (E_RNA) where: Base-Base interactions energy: -277.576 where: short stacking energy: -147.582 Base-Backbone interact. energy: -0.546 local terms energy: -227.460832 where: bonds (distance) C4'-P energy: -56.537 bonds (distance) P-C4' energy: -69.933 flat angles C4'-P-C4' energy: -68.118 flat angles P-C4'-P energy: -39.423 tors. eta vs tors. theta energy: 6.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -319.098809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.098809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.098809 (E_RNA) where: Base-Base interactions energy: -127.197 where: short stacking energy: -84.550 Base-Backbone interact. energy: -1.206 local terms energy: -190.695824 where: bonds (distance) C4'-P energy: -65.975 bonds (distance) P-C4' energy: -75.085 flat angles C4'-P-C4' energy: -41.135 flat angles P-C4'-P energy: -18.539 tors. eta vs tors. theta energy: 10.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1397.706266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.706266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.706266 (E_RNA) where: Base-Base interactions energy: -971.713 where: short stacking energy: -420.355 Base-Backbone interact. energy: 0.817 local terms energy: -426.810836 where: bonds (distance) C4'-P energy: -71.111 bonds (distance) P-C4' energy: -75.224 flat angles C4'-P-C4' energy: -89.672 flat angles P-C4'-P energy: -62.802 tors. eta vs tors. theta energy: -128.002 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: 259 Temperature: 0.950000 Total energy: -1344.382191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.382191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.382191 (E_RNA) where: Base-Base interactions energy: -919.826 where: short stacking energy: -407.068 Base-Backbone interact. energy: -1.901 local terms energy: -422.655456 where: bonds (distance) C4'-P energy: -74.656 bonds (distance) P-C4' energy: -86.152 flat angles C4'-P-C4' energy: -94.711 flat angles P-C4'-P energy: -43.654 tors. eta vs tors. theta energy: -123.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1290.906540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.906540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.906540 (E_RNA) where: Base-Base interactions energy: -900.397 where: short stacking energy: -381.087 Base-Backbone interact. energy: 0.411 local terms energy: -390.920359 where: bonds (distance) C4'-P energy: -66.605 bonds (distance) P-C4' energy: -69.590 flat angles C4'-P-C4' energy: -86.086 flat angles P-C4'-P energy: -53.302 tors. eta vs tors. theta energy: -115.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1204.427238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.427238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.427238 (E_RNA) where: Base-Base interactions energy: -821.916 where: short stacking energy: -389.181 Base-Backbone interact. energy: 0.367 local terms energy: -382.878287 where: bonds (distance) C4'-P energy: -68.510 bonds (distance) P-C4' energy: -66.828 flat angles C4'-P-C4' energy: -85.926 flat angles P-C4'-P energy: -45.096 tors. eta vs tors. theta energy: -116.518 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: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1026.918716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.918716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.918716 (E_RNA) where: Base-Base interactions energy: -699.121 where: short stacking energy: -306.554 Base-Backbone interact. energy: -1.582 local terms energy: -326.215535 where: bonds (distance) C4'-P energy: -63.364 bonds (distance) P-C4' energy: -60.564 flat angles C4'-P-C4' energy: -85.787 flat angles P-C4'-P energy: -34.611 tors. eta vs tors. theta energy: -81.890 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: 6 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1097.361981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.361981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.361981 (E_RNA) where: Base-Base interactions energy: -749.956 where: short stacking energy: -328.801 Base-Backbone interact. energy: -0.489 local terms energy: -346.916930 where: bonds (distance) C4'-P energy: -61.048 bonds (distance) P-C4' energy: -69.256 flat angles C4'-P-C4' energy: -82.385 flat angles P-C4'-P energy: -48.502 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: 7, replica: 10 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -928.257783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.257783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.257783 (E_RNA) where: Base-Base interactions energy: -630.773 where: short stacking energy: -257.774 Base-Backbone interact. energy: -1.808 local terms energy: -295.677091 where: bonds (distance) C4'-P energy: -61.144 bonds (distance) P-C4' energy: -75.417 flat angles C4'-P-C4' energy: -64.362 flat angles P-C4'-P energy: -38.471 tors. eta vs tors. theta energy: -56.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -701.849458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.849458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.849458 (E_RNA) where: Base-Base interactions energy: -443.207 where: short stacking energy: -197.204 Base-Backbone interact. energy: 3.711 local terms energy: -262.353470 where: bonds (distance) C4'-P energy: -63.356 bonds (distance) P-C4' energy: -67.730 flat angles C4'-P-C4' energy: -60.801 flat angles P-C4'-P energy: -43.927 tors. eta vs tors. theta energy: -26.540 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: 5 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -484.471887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.471887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.471887 (E_RNA) where: Base-Base interactions energy: -264.851 where: short stacking energy: -146.339 Base-Backbone interact. energy: 0.669 local terms energy: -220.290014 where: bonds (distance) C4'-P energy: -61.406 bonds (distance) P-C4' energy: -61.218 flat angles C4'-P-C4' energy: -61.092 flat angles P-C4'-P energy: -36.970 tors. eta vs tors. theta energy: 0.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -321.249537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.249537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.249537 (E_RNA) where: Base-Base interactions energy: -120.832 where: short stacking energy: -99.400 Base-Backbone interact. energy: -0.832 local terms energy: -199.585758 where: bonds (distance) C4'-P energy: -59.216 bonds (distance) P-C4' energy: -68.019 flat angles C4'-P-C4' energy: -47.594 flat angles P-C4'-P energy: -27.906 tors. eta vs tors. theta energy: 3.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1400.423503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.423503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.423503 (E_RNA) where: Base-Base interactions energy: -953.945 where: short stacking energy: -416.728 Base-Backbone interact. energy: -1.752 local terms energy: -444.725799 where: bonds (distance) C4'-P energy: -83.828 bonds (distance) P-C4' energy: -74.716 flat angles C4'-P-C4' energy: -93.959 flat angles P-C4'-P energy: -63.241 tors. eta vs tors. theta energy: -128.981 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: 260 Temperature: 0.950000 Total energy: -1345.197821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.197821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.197821 (E_RNA) where: Base-Base interactions energy: -938.815 where: short stacking energy: -407.999 Base-Backbone interact. energy: 5.167 local terms energy: -411.550683 where: bonds (distance) C4'-P energy: -76.253 bonds (distance) P-C4' energy: -70.829 flat angles C4'-P-C4' energy: -82.702 flat angles P-C4'-P energy: -60.354 tors. eta vs tors. theta energy: -121.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1307.794809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.794809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.794809 (E_RNA) where: Base-Base interactions energy: -899.939 where: short stacking energy: -406.307 Base-Backbone interact. energy: 1.338 local terms energy: -409.193963 where: bonds (distance) C4'-P energy: -63.944 bonds (distance) P-C4' energy: -82.225 flat angles C4'-P-C4' energy: -81.582 flat angles P-C4'-P energy: -65.076 tors. eta vs tors. theta energy: -116.368 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: 260 Temperature: 1.050000 Total energy: -1204.656139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.656139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.656139 (E_RNA) where: Base-Base interactions energy: -817.463 where: short stacking energy: -368.612 Base-Backbone interact. energy: -3.686 local terms energy: -383.506974 where: bonds (distance) C4'-P energy: -66.094 bonds (distance) P-C4' energy: -77.883 flat angles C4'-P-C4' energy: -85.690 flat angles P-C4'-P energy: -49.278 tors. eta vs tors. theta energy: -104.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1123.266437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.266437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.266437 (E_RNA) where: Base-Base interactions energy: -770.731 where: short stacking energy: -341.764 Base-Backbone interact. energy: 0.275 local terms energy: -352.810778 where: bonds (distance) C4'-P energy: -66.467 bonds (distance) P-C4' energy: -75.463 flat angles C4'-P-C4' energy: -79.598 flat angles P-C4'-P energy: -43.155 tors. eta vs tors. theta energy: -88.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1000.484579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.484579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.484579 (E_RNA) where: Base-Base interactions energy: -658.114 where: short stacking energy: -309.684 Base-Backbone interact. energy: 0.556 local terms energy: -342.925661 where: bonds (distance) C4'-P energy: -67.227 bonds (distance) P-C4' energy: -69.981 flat angles C4'-P-C4' energy: -67.490 flat angles P-C4'-P energy: -46.031 tors. eta vs tors. theta energy: -92.197 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: 10 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -900.072751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.072751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.072751 (E_RNA) where: Base-Base interactions energy: -597.617 where: short stacking energy: -274.995 Base-Backbone interact. energy: 0.710 local terms energy: -303.165722 where: bonds (distance) C4'-P energy: -57.242 bonds (distance) P-C4' energy: -61.049 flat angles C4'-P-C4' energy: -73.683 flat angles P-C4'-P energy: -46.650 tors. eta vs tors. theta energy: -64.542 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: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -682.055790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.055790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.055790 (E_RNA) where: Base-Base interactions energy: -426.955 where: short stacking energy: -181.070 Base-Backbone interact. energy: 1.265 local terms energy: -256.365404 where: bonds (distance) C4'-P energy: -68.050 bonds (distance) P-C4' energy: -58.370 flat angles C4'-P-C4' energy: -60.513 flat angles P-C4'-P energy: -42.568 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: 9, replica: 5 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -481.306780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.306780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.306780 (E_RNA) where: Base-Base interactions energy: -261.880 where: short stacking energy: -132.072 Base-Backbone interact. energy: 3.117 local terms energy: -222.543342 where: bonds (distance) C4'-P energy: -68.232 bonds (distance) P-C4' energy: -69.804 flat angles C4'-P-C4' energy: -51.777 flat angles P-C4'-P energy: -37.801 tors. eta vs tors. theta energy: 5.070 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: 10, replica: 1 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -365.650740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.650740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.650740 (E_RNA) where: Base-Base interactions energy: -174.797 where: short stacking energy: -111.501 Base-Backbone interact. energy: -0.603 local terms energy: -190.250769 where: bonds (distance) C4'-P energy: -58.184 bonds (distance) P-C4' energy: -46.428 flat angles C4'-P-C4' energy: -63.953 flat angles P-C4'-P energy: -29.618 tors. eta vs tors. theta energy: 7.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1419.623971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.623971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.623971 (E_RNA) where: Base-Base interactions energy: -986.752 where: short stacking energy: -437.065 Base-Backbone interact. energy: -1.558 local terms energy: -431.314340 where: bonds (distance) C4'-P energy: -77.004 bonds (distance) P-C4' energy: -77.413 flat angles C4'-P-C4' energy: -94.987 flat angles P-C4'-P energy: -45.992 tors. eta vs tors. theta energy: -135.918 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: 2, replica: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1355.902133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.902133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.902133 (E_RNA) where: Base-Base interactions energy: -951.004 where: short stacking energy: -410.761 Base-Backbone interact. energy: -0.527 local terms energy: -404.370701 where: bonds (distance) C4'-P energy: -62.133 bonds (distance) P-C4' energy: -86.613 flat angles C4'-P-C4' energy: -83.353 flat angles P-C4'-P energy: -55.721 tors. eta vs tors. theta energy: -116.552 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: 2 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1256.033846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.033846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.033846 (E_RNA) where: Base-Base interactions energy: -849.056 where: short stacking energy: -380.438 Base-Backbone interact. energy: -0.908 local terms energy: -406.070065 where: bonds (distance) C4'-P energy: -79.607 bonds (distance) P-C4' energy: -76.172 flat angles C4'-P-C4' energy: -83.967 flat angles P-C4'-P energy: -62.190 tors. eta vs tors. theta energy: -104.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1214.250089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.250089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.250089 (E_RNA) where: Base-Base interactions energy: -823.312 where: short stacking energy: -373.296 Base-Backbone interact. energy: -0.488 local terms energy: -390.449991 where: bonds (distance) C4'-P energy: -61.625 bonds (distance) P-C4' energy: -71.151 flat angles C4'-P-C4' energy: -87.809 flat angles P-C4'-P energy: -61.164 tors. eta vs tors. theta energy: -108.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1160.396553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.396553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.396553 (E_RNA) where: Base-Base interactions energy: -791.958 where: short stacking energy: -346.486 Base-Backbone interact. energy: -1.145 local terms energy: -367.292977 where: bonds (distance) C4'-P energy: -69.350 bonds (distance) P-C4' energy: -67.910 flat angles C4'-P-C4' energy: -79.504 flat angles P-C4'-P energy: -50.799 tors. eta vs tors. theta energy: -99.730 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: 6, replica: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1014.221145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.221145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.221145 (E_RNA) where: Base-Base interactions energy: -684.858 where: short stacking energy: -280.395 Base-Backbone interact. energy: -2.095 local terms energy: -327.267534 where: bonds (distance) C4'-P energy: -77.344 bonds (distance) P-C4' energy: -70.650 flat angles C4'-P-C4' energy: -68.562 flat angles P-C4'-P energy: -47.069 tors. eta vs tors. theta energy: -63.642 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: 10 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -925.655805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.655805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.655805 (E_RNA) where: Base-Base interactions energy: -618.761 where: short stacking energy: -251.724 Base-Backbone interact. energy: -2.749 local terms energy: -304.145720 where: bonds (distance) C4'-P energy: -52.231 bonds (distance) P-C4' energy: -64.075 flat angles C4'-P-C4' energy: -71.256 flat angles P-C4'-P energy: -59.488 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: 9 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -784.534186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.534186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.534186 (E_RNA) where: Base-Base interactions energy: -476.774 where: short stacking energy: -215.746 Base-Backbone interact. energy: -1.926 local terms energy: -305.833863 where: bonds (distance) C4'-P energy: -66.107 bonds (distance) P-C4' energy: -67.908 flat angles C4'-P-C4' energy: -64.673 flat angles P-C4'-P energy: -51.407 tors. eta vs tors. theta energy: -55.738 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: 5 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -405.050491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.050491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.050491 (E_RNA) where: Base-Base interactions energy: -187.887 where: short stacking energy: -113.228 Base-Backbone interact. energy: 5.019 local terms energy: -222.182447 where: bonds (distance) C4'-P energy: -58.189 bonds (distance) P-C4' energy: -75.636 flat angles C4'-P-C4' energy: -56.898 flat angles P-C4'-P energy: -35.431 tors. eta vs tors. theta energy: 3.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -354.028505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.028505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.028505 (E_RNA) where: Base-Base interactions energy: -134.907 where: short stacking energy: -102.694 Base-Backbone interact. energy: 0.700 local terms energy: -219.821231 where: bonds (distance) C4'-P energy: -77.105 bonds (distance) P-C4' energy: -63.285 flat angles C4'-P-C4' energy: -53.938 flat angles P-C4'-P energy: -24.955 tors. eta vs tors. theta energy: -0.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1409.142949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.142949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.142949 (E_RNA) where: Base-Base interactions energy: -976.382 where: short stacking energy: -432.341 Base-Backbone interact. energy: -1.064 local terms energy: -431.696262 where: bonds (distance) C4'-P energy: -73.953 bonds (distance) P-C4' energy: -83.811 flat angles C4'-P-C4' energy: -85.194 flat angles P-C4'-P energy: -59.051 tors. eta vs tors. theta energy: -129.687 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: 262 Temperature: 0.950000 Total energy: -1326.541231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.541231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.541231 (E_RNA) where: Base-Base interactions energy: -924.010 where: short stacking energy: -405.765 Base-Backbone interact. energy: 3.089 local terms energy: -405.619487 where: bonds (distance) C4'-P energy: -71.160 bonds (distance) P-C4' energy: -79.630 flat angles C4'-P-C4' energy: -87.889 flat angles P-C4'-P energy: -61.076 tors. eta vs tors. theta energy: -105.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1275.140803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.140803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.140803 (E_RNA) where: Base-Base interactions energy: -870.940 where: short stacking energy: -371.480 Base-Backbone interact. energy: 1.272 local terms energy: -405.472705 where: bonds (distance) C4'-P energy: -75.986 bonds (distance) P-C4' energy: -77.895 flat angles C4'-P-C4' energy: -84.169 flat angles P-C4'-P energy: -60.180 tors. eta vs tors. theta energy: -107.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1250.009465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.009465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.009465 (E_RNA) where: Base-Base interactions energy: -850.008 where: short stacking energy: -389.151 Base-Backbone interact. energy: -1.736 local terms energy: -398.265330 where: bonds (distance) C4'-P energy: -78.259 bonds (distance) P-C4' energy: -66.857 flat angles C4'-P-C4' energy: -89.208 flat angles P-C4'-P energy: -53.797 tors. eta vs tors. theta energy: -110.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1178.168005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.168005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.168005 (E_RNA) where: Base-Base interactions energy: -796.584 where: short stacking energy: -357.369 Base-Backbone interact. energy: 2.707 local terms energy: -384.290788 where: bonds (distance) C4'-P energy: -73.801 bonds (distance) P-C4' energy: -70.809 flat angles C4'-P-C4' energy: -75.882 flat angles P-C4'-P energy: -59.240 tors. eta vs tors. theta energy: -104.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1098.161894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.161894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.161894 (E_RNA) where: Base-Base interactions energy: -746.108 where: short stacking energy: -324.428 Base-Backbone interact. energy: -4.277 local terms energy: -347.777520 where: bonds (distance) C4'-P energy: -71.798 bonds (distance) P-C4' energy: -73.757 flat angles C4'-P-C4' energy: -72.390 flat angles P-C4'-P energy: -48.077 tors. eta vs tors. theta energy: -81.757 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: 7, replica: 10 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -942.932363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.932363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.932363 (E_RNA) where: Base-Base interactions energy: -634.093 where: short stacking energy: -270.477 Base-Backbone interact. energy: -3.013 local terms energy: -305.826932 where: bonds (distance) C4'-P energy: -69.968 bonds (distance) P-C4' energy: -73.818 flat angles C4'-P-C4' energy: -72.673 flat angles P-C4'-P energy: -20.999 tors. eta vs tors. theta energy: -68.369 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: 9 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -772.144378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.144378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.144378 (E_RNA) where: Base-Base interactions energy: -486.956 where: short stacking energy: -211.099 Base-Backbone interact. energy: 0.651 local terms energy: -285.838911 where: bonds (distance) C4'-P energy: -64.638 bonds (distance) P-C4' energy: -64.516 flat angles C4'-P-C4' energy: -59.470 flat angles P-C4'-P energy: -44.709 tors. eta vs tors. theta energy: -52.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -424.828686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.828686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.828686 (E_RNA) where: Base-Base interactions energy: -213.922 where: short stacking energy: -119.972 Base-Backbone interact. energy: 1.006 local terms energy: -211.912636 where: bonds (distance) C4'-P energy: -59.083 bonds (distance) P-C4' energy: -55.906 flat angles C4'-P-C4' energy: -61.026 flat angles P-C4'-P energy: -29.685 tors. eta vs tors. theta energy: -6.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -384.903132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.903132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.903132 (E_RNA) where: Base-Base interactions energy: -185.646 where: short stacking energy: -100.250 Base-Backbone interact. energy: -2.046 local terms energy: -197.211981 where: bonds (distance) C4'-P energy: -49.474 bonds (distance) P-C4' energy: -68.796 flat angles C4'-P-C4' energy: -52.639 flat angles P-C4'-P energy: -29.385 tors. eta vs tors. theta energy: 3.082 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: 1, replica: 4 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1386.686986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.686986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.686986 (E_RNA) where: Base-Base interactions energy: -961.759 where: short stacking energy: -427.269 Base-Backbone interact. energy: -0.083 local terms energy: -424.844862 where: bonds (distance) C4'-P energy: -76.726 bonds (distance) P-C4' energy: -82.254 flat angles C4'-P-C4' energy: -84.309 flat angles P-C4'-P energy: -58.277 tors. eta vs tors. theta energy: -123.278 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: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1344.742007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.742007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.742007 (E_RNA) where: Base-Base interactions energy: -914.798 where: short stacking energy: -386.073 Base-Backbone interact. energy: -1.541 local terms energy: -428.403738 where: bonds (distance) C4'-P energy: -84.518 bonds (distance) P-C4' energy: -72.612 flat angles C4'-P-C4' energy: -92.638 flat angles P-C4'-P energy: -61.738 tors. eta vs tors. theta energy: -116.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1275.129092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.129092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.129092 (E_RNA) where: Base-Base interactions energy: -878.694 where: short stacking energy: -378.707 Base-Backbone interact. energy: -0.204 local terms energy: -396.231252 where: bonds (distance) C4'-P energy: -65.566 bonds (distance) P-C4' energy: -80.095 flat angles C4'-P-C4' energy: -91.196 flat angles P-C4'-P energy: -44.130 tors. eta vs tors. theta energy: -115.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1250.545618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.545618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.545618 (E_RNA) where: Base-Base interactions energy: -843.463 where: short stacking energy: -382.213 Base-Backbone interact. energy: 0.843 local terms energy: -407.926189 where: bonds (distance) C4'-P energy: -68.014 bonds (distance) P-C4' energy: -75.223 flat angles C4'-P-C4' energy: -90.991 flat angles P-C4'-P energy: -57.867 tors. eta vs tors. theta energy: -115.832 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: 263 Temperature: 1.100000 Total energy: -1142.009842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.009842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.009842 (E_RNA) where: Base-Base interactions energy: -751.762 where: short stacking energy: -342.015 Base-Backbone interact. energy: -1.579 local terms energy: -388.667874 where: bonds (distance) C4'-P energy: -71.524 bonds (distance) P-C4' energy: -85.794 flat angles C4'-P-C4' energy: -76.569 flat angles P-C4'-P energy: -57.828 tors. eta vs tors. theta energy: -96.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1075.514351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.514351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.514351 (E_RNA) where: Base-Base interactions energy: -741.273 where: short stacking energy: -304.861 Base-Backbone interact. energy: -1.685 local terms energy: -332.556343 where: bonds (distance) C4'-P energy: -65.932 bonds (distance) P-C4' energy: -70.634 flat angles C4'-P-C4' energy: -69.895 flat angles P-C4'-P energy: -42.556 tors. eta vs tors. theta energy: -83.538 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: 10 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -923.240889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.240889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.240889 (E_RNA) where: Base-Base interactions energy: -637.308 where: short stacking energy: -267.765 Base-Backbone interact. energy: 0.645 local terms energy: -286.577641 where: bonds (distance) C4'-P energy: -60.992 bonds (distance) P-C4' energy: -61.030 flat angles C4'-P-C4' energy: -64.245 flat angles P-C4'-P energy: -44.638 tors. eta vs tors. theta energy: -55.673 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: 9 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -764.081913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.081913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.081913 (E_RNA) where: Base-Base interactions energy: -499.709 where: short stacking energy: -214.324 Base-Backbone interact. energy: -1.677 local terms energy: -262.696023 where: bonds (distance) C4'-P energy: -58.103 bonds (distance) P-C4' energy: -55.394 flat angles C4'-P-C4' energy: -77.413 flat angles P-C4'-P energy: -35.911 tors. eta vs tors. theta energy: -35.875 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: 1 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -461.939386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.939386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.939386 (E_RNA) where: Base-Base interactions energy: -225.773 where: short stacking energy: -129.789 Base-Backbone interact. energy: -0.459 local terms energy: -235.707135 where: bonds (distance) C4'-P energy: -62.147 bonds (distance) P-C4' energy: -63.363 flat angles C4'-P-C4' energy: -63.270 flat angles P-C4'-P energy: -36.567 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: 10, replica: 5 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -378.741358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.741358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.741358 (E_RNA) where: Base-Base interactions energy: -176.601 where: short stacking energy: -133.113 Base-Backbone interact. energy: 0.042 local terms energy: -202.181864 where: bonds (distance) C4'-P energy: -48.046 bonds (distance) P-C4' energy: -66.600 flat angles C4'-P-C4' energy: -59.006 flat angles P-C4'-P energy: -21.474 tors. eta vs tors. theta energy: -7.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1392.668311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.668311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.668311 (E_RNA) where: Base-Base interactions energy: -966.489 where: short stacking energy: -424.663 Base-Backbone interact. energy: -2.172 local terms energy: -424.007419 where: bonds (distance) C4'-P energy: -77.245 bonds (distance) P-C4' energy: -69.046 flat angles C4'-P-C4' energy: -94.084 flat angles P-C4'-P energy: -61.512 tors. eta vs tors. theta energy: -122.119 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: 4 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1369.392404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.392404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.392404 (E_RNA) where: Base-Base interactions energy: -935.645 where: short stacking energy: -421.826 Base-Backbone interact. energy: -4.532 local terms energy: -429.215352 where: bonds (distance) C4'-P energy: -71.249 bonds (distance) P-C4' energy: -78.200 flat angles C4'-P-C4' energy: -91.642 flat angles P-C4'-P energy: -54.169 tors. eta vs tors. theta energy: -133.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1295.488665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.488665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.488665 (E_RNA) where: Base-Base interactions energy: -889.527 where: short stacking energy: -390.296 Base-Backbone interact. energy: -1.692 local terms energy: -404.269326 where: bonds (distance) C4'-P energy: -70.010 bonds (distance) P-C4' energy: -79.463 flat angles C4'-P-C4' energy: -83.573 flat angles P-C4'-P energy: -62.275 tors. eta vs tors. theta energy: -108.949 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: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1259.853049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.853049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.853049 (E_RNA) where: Base-Base interactions energy: -864.586 where: short stacking energy: -384.328 Base-Backbone interact. energy: 1.617 local terms energy: -396.884787 where: bonds (distance) C4'-P energy: -75.185 bonds (distance) P-C4' energy: -75.283 flat angles C4'-P-C4' energy: -77.887 flat angles P-C4'-P energy: -46.000 tors. eta vs tors. theta energy: -122.531 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: 5, replica: 6 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1144.488391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.488391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.488391 (E_RNA) where: Base-Base interactions energy: -771.458 where: short stacking energy: -342.684 Base-Backbone interact. energy: 0.908 local terms energy: -373.938354 where: bonds (distance) C4'-P energy: -76.962 bonds (distance) P-C4' energy: -64.369 flat angles C4'-P-C4' energy: -81.985 flat angles P-C4'-P energy: -52.983 tors. eta vs tors. theta energy: -97.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1092.497008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.497008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.497008 (E_RNA) where: Base-Base interactions energy: -766.563 where: short stacking energy: -321.841 Base-Backbone interact. energy: -2.048 local terms energy: -323.885933 where: bonds (distance) C4'-P energy: -63.262 bonds (distance) P-C4' energy: -54.764 flat angles C4'-P-C4' energy: -68.027 flat angles P-C4'-P energy: -55.902 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: 7, replica: 10 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -954.712966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.712966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.712966 (E_RNA) where: Base-Base interactions energy: -647.253 where: short stacking energy: -269.639 Base-Backbone interact. energy: 0.369 local terms energy: -307.829129 where: bonds (distance) C4'-P energy: -67.201 bonds (distance) P-C4' energy: -75.282 flat angles C4'-P-C4' energy: -68.931 flat angles P-C4'-P energy: -47.233 tors. eta vs tors. theta energy: -49.182 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: 9 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -825.922069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.922069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.922069 (E_RNA) where: Base-Base interactions energy: -534.009 where: short stacking energy: -221.548 Base-Backbone interact. energy: -0.056 local terms energy: -291.857332 where: bonds (distance) C4'-P energy: -69.844 bonds (distance) P-C4' energy: -73.843 flat angles C4'-P-C4' energy: -70.287 flat angles P-C4'-P energy: -29.729 tors. eta vs tors. theta energy: -48.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -419.405475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.405475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.405475 (E_RNA) where: Base-Base interactions energy: -187.327 where: short stacking energy: -126.917 Base-Backbone interact. energy: 2.324 local terms energy: -234.402235 where: bonds (distance) C4'-P energy: -63.908 bonds (distance) P-C4' energy: -64.604 flat angles C4'-P-C4' energy: -62.474 flat angles P-C4'-P energy: -31.526 tors. eta vs tors. theta energy: -11.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -379.991217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.991217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.991217 (E_RNA) where: Base-Base interactions energy: -179.260 where: short stacking energy: -118.145 Base-Backbone interact. energy: -0.184 local terms energy: -200.547684 where: bonds (distance) C4'-P energy: -62.898 bonds (distance) P-C4' energy: -55.970 flat angles C4'-P-C4' energy: -43.395 flat angles P-C4'-P energy: -42.640 tors. eta vs tors. theta energy: 4.355 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: 265 Temperature: 0.900000 Total energy: -1399.835137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.835137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.835137 (E_RNA) where: Base-Base interactions energy: -963.338 where: short stacking energy: -405.053 Base-Backbone interact. energy: -2.170 local terms energy: -434.327573 where: bonds (distance) C4'-P energy: -84.048 bonds (distance) P-C4' energy: -71.920 flat angles C4'-P-C4' energy: -91.525 flat angles P-C4'-P energy: -64.905 tors. eta vs tors. theta energy: -121.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1297.141922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.141922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.141922 (E_RNA) where: Base-Base interactions energy: -886.768 where: short stacking energy: -366.421 Base-Backbone interact. energy: -1.465 local terms energy: -408.908622 where: bonds (distance) C4'-P energy: -73.038 bonds (distance) P-C4' energy: -78.402 flat angles C4'-P-C4' energy: -82.593 flat angles P-C4'-P energy: -67.371 tors. eta vs tors. theta energy: -107.506 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: 4 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1355.971781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.971781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.971781 (E_RNA) where: Base-Base interactions energy: -926.504 where: short stacking energy: -407.442 Base-Backbone interact. energy: -2.473 local terms energy: -426.994846 where: bonds (distance) C4'-P energy: -67.304 bonds (distance) P-C4' energy: -81.009 flat angles C4'-P-C4' energy: -88.999 flat angles P-C4'-P energy: -66.659 tors. eta vs tors. theta energy: -123.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1253.711921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.711921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.711921 (E_RNA) where: Base-Base interactions energy: -852.113 where: short stacking energy: -384.355 Base-Backbone interact. energy: -2.325 local terms energy: -399.274632 where: bonds (distance) C4'-P energy: -67.941 bonds (distance) P-C4' energy: -82.121 flat angles C4'-P-C4' energy: -81.827 flat angles P-C4'-P energy: -49.162 tors. eta vs tors. theta energy: -118.224 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: 265 Temperature: 1.100000 Total energy: -1157.379765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.379765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.379765 (E_RNA) where: Base-Base interactions energy: -804.100 where: short stacking energy: -347.500 Base-Backbone interact. energy: -1.899 local terms energy: -351.381122 where: bonds (distance) C4'-P energy: -71.353 bonds (distance) P-C4' energy: -59.839 flat angles C4'-P-C4' energy: -82.338 flat angles P-C4'-P energy: -47.151 tors. eta vs tors. theta energy: -90.701 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: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1116.444477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.444477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.444477 (E_RNA) where: Base-Base interactions energy: -781.383 where: short stacking energy: -328.109 Base-Backbone interact. energy: -0.975 local terms energy: -334.086136 where: bonds (distance) C4'-P energy: -53.912 bonds (distance) P-C4' energy: -59.841 flat angles C4'-P-C4' energy: -77.311 flat angles P-C4'-P energy: -50.305 tors. eta vs tors. theta energy: -92.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -896.325984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.325984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.325984 (E_RNA) where: Base-Base interactions energy: -608.965 where: short stacking energy: -253.582 Base-Backbone interact. energy: -0.225 local terms energy: -287.136003 where: bonds (distance) C4'-P energy: -52.204 bonds (distance) P-C4' energy: -64.243 flat angles C4'-P-C4' energy: -72.105 flat angles P-C4'-P energy: -47.647 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: 9 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -836.871459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.871459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.871459 (E_RNA) where: Base-Base interactions energy: -532.640 where: short stacking energy: -235.495 Base-Backbone interact. energy: -1.616 local terms energy: -302.615917 where: bonds (distance) C4'-P energy: -73.301 bonds (distance) P-C4' energy: -71.071 flat angles C4'-P-C4' energy: -67.658 flat angles P-C4'-P energy: -36.832 tors. eta vs tors. theta energy: -53.754 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: 265 Temperature: 1.300000 Total energy: -339.682713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.682713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.682713 (E_RNA) where: Base-Base interactions energy: -116.030 where: short stacking energy: -109.233 Base-Backbone interact. energy: -1.376 local terms energy: -222.276965 where: bonds (distance) C4'-P energy: -61.327 bonds (distance) P-C4' energy: -57.451 flat angles C4'-P-C4' energy: -63.603 flat angles P-C4'-P energy: -45.748 tors. eta vs tors. theta energy: 5.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -384.839775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.839775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.839775 (E_RNA) where: Base-Base interactions energy: -154.739 where: short stacking energy: -103.977 Base-Backbone interact. energy: -0.982 local terms energy: -229.119349 where: bonds (distance) C4'-P energy: -57.489 bonds (distance) P-C4' energy: -70.201 flat angles C4'-P-C4' energy: -69.507 flat angles P-C4'-P energy: -36.868 tors. eta vs tors. theta energy: 4.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1393.568760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.568760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.568760 (E_RNA) where: Base-Base interactions energy: -961.330 where: short stacking energy: -403.864 Base-Backbone interact. energy: -4.668 local terms energy: -427.570674 where: bonds (distance) C4'-P energy: -86.364 bonds (distance) P-C4' energy: -74.227 flat angles C4'-P-C4' energy: -88.719 flat angles P-C4'-P energy: -62.097 tors. eta vs tors. theta energy: -116.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1291.557176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.557176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.557176 (E_RNA) where: Base-Base interactions energy: -883.088 where: short stacking energy: -379.181 Base-Backbone interact. energy: -0.839 local terms energy: -407.630245 where: bonds (distance) C4'-P energy: -75.021 bonds (distance) P-C4' energy: -81.455 flat angles C4'-P-C4' energy: -87.292 flat angles P-C4'-P energy: -55.740 tors. eta vs tors. theta energy: -108.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1342.998823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.998823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.998823 (E_RNA) where: Base-Base interactions energy: -939.650 where: short stacking energy: -412.759 Base-Backbone interact. energy: -0.913 local terms energy: -402.435407 where: bonds (distance) C4'-P energy: -70.861 bonds (distance) P-C4' energy: -70.472 flat angles C4'-P-C4' energy: -79.541 flat angles P-C4'-P energy: -59.010 tors. eta vs tors. theta energy: -122.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1249.160370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.160370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.160370 (E_RNA) where: Base-Base interactions energy: -836.364 where: short stacking energy: -371.349 Base-Backbone interact. energy: -1.878 local terms energy: -410.918313 where: bonds (distance) C4'-P energy: -70.075 bonds (distance) P-C4' energy: -66.979 flat angles C4'-P-C4' energy: -87.439 flat angles P-C4'-P energy: -60.592 tors. eta vs tors. theta energy: -125.833 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: 8 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1147.176626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.176626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.176626 (E_RNA) where: Base-Base interactions energy: -795.585 where: short stacking energy: -339.214 Base-Backbone interact. energy: -2.252 local terms energy: -349.339714 where: bonds (distance) C4'-P energy: -60.475 bonds (distance) P-C4' energy: -74.710 flat angles C4'-P-C4' energy: -84.917 flat angles P-C4'-P energy: -41.213 tors. eta vs tors. theta energy: -88.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1162.022251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.022251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.022251 (E_RNA) where: Base-Base interactions energy: -801.458 where: short stacking energy: -348.621 Base-Backbone interact. energy: 0.199 local terms energy: -360.762869 where: bonds (distance) C4'-P energy: -60.556 bonds (distance) P-C4' energy: -59.688 flat angles C4'-P-C4' energy: -81.808 flat angles P-C4'-P energy: -54.259 tors. eta vs tors. theta energy: -104.452 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: 266 Temperature: 1.200000 Total energy: -948.408417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.408417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.408417 (E_RNA) where: Base-Base interactions energy: -652.713 where: short stacking energy: -276.198 Base-Backbone interact. energy: -1.097 local terms energy: -294.599089 where: bonds (distance) C4'-P energy: -59.359 bonds (distance) P-C4' energy: -50.597 flat angles C4'-P-C4' energy: -69.048 flat angles P-C4'-P energy: -47.666 tors. eta vs tors. theta energy: -67.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -804.175502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.175502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.175502 (E_RNA) where: Base-Base interactions energy: -529.107 where: short stacking energy: -224.031 Base-Backbone interact. energy: -1.480 local terms energy: -273.588731 where: bonds (distance) C4'-P energy: -72.053 bonds (distance) P-C4' energy: -54.454 flat angles C4'-P-C4' energy: -70.202 flat angles P-C4'-P energy: -38.386 tors. eta vs tors. theta energy: -38.494 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: 9, replica: 1 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -341.710672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.710672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.710672 (E_RNA) where: Base-Base interactions energy: -118.789 where: short stacking energy: -108.716 Base-Backbone interact. energy: -5.068 local terms energy: -217.853118 where: bonds (distance) C4'-P energy: -64.791 bonds (distance) P-C4' energy: -78.332 flat angles C4'-P-C4' energy: -45.051 flat angles P-C4'-P energy: -34.977 tors. eta vs tors. theta energy: 5.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -343.853989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.853989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.853989 (E_RNA) where: Base-Base interactions energy: -141.024 where: short stacking energy: -85.743 Base-Backbone interact. energy: -0.798 local terms energy: -202.031838 where: bonds (distance) C4'-P energy: -59.004 bonds (distance) P-C4' energy: -61.355 flat angles C4'-P-C4' energy: -40.986 flat angles P-C4'-P energy: -48.634 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: 3 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1380.001930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.001930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.001930 (E_RNA) where: Base-Base interactions energy: -935.156 where: short stacking energy: -397.504 Base-Backbone interact. energy: -2.943 local terms energy: -441.903242 where: bonds (distance) C4'-P energy: -86.694 bonds (distance) P-C4' energy: -87.929 flat angles C4'-P-C4' energy: -85.236 flat angles P-C4'-P energy: -68.797 tors. eta vs tors. theta energy: -113.247 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: 267 Temperature: 0.950000 Total energy: -1369.431007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.431007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.431007 (E_RNA) where: Base-Base interactions energy: -955.288 where: short stacking energy: -413.066 Base-Backbone interact. energy: -1.110 local terms energy: -413.032690 where: bonds (distance) C4'-P energy: -66.632 bonds (distance) P-C4' energy: -82.208 flat angles C4'-P-C4' energy: -88.863 flat angles P-C4'-P energy: -54.418 tors. eta vs tors. theta energy: -120.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1265.018960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.018960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.018960 (E_RNA) where: Base-Base interactions energy: -873.817 where: short stacking energy: -379.919 Base-Backbone interact. energy: -1.322 local terms energy: -389.879890 where: bonds (distance) C4'-P energy: -65.390 bonds (distance) P-C4' energy: -78.928 flat angles C4'-P-C4' energy: -84.565 flat angles P-C4'-P energy: -50.701 tors. eta vs tors. theta energy: -110.296 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: 4, replica: 7 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1268.837790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.837790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.837790 (E_RNA) where: Base-Base interactions energy: -862.038 where: short stacking energy: -400.720 Base-Backbone interact. energy: -1.606 local terms energy: -405.193724 where: bonds (distance) C4'-P energy: -59.308 bonds (distance) P-C4' energy: -75.323 flat angles C4'-P-C4' energy: -86.212 flat angles P-C4'-P energy: -56.828 tors. eta vs tors. theta energy: -127.524 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: 8 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1145.537069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.537069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.537069 (E_RNA) where: Base-Base interactions energy: -778.369 where: short stacking energy: -331.273 Base-Backbone interact. energy: -2.454 local terms energy: -364.713478 where: bonds (distance) C4'-P energy: -59.821 bonds (distance) P-C4' energy: -72.753 flat angles C4'-P-C4' energy: -75.924 flat angles P-C4'-P energy: -54.521 tors. eta vs tors. theta energy: -101.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1193.673774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.673774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.673774 (E_RNA) where: Base-Base interactions energy: -820.168 where: short stacking energy: -352.489 Base-Backbone interact. energy: -1.517 local terms energy: -371.988823 where: bonds (distance) C4'-P energy: -66.579 bonds (distance) P-C4' energy: -69.905 flat angles C4'-P-C4' energy: -68.702 flat angles P-C4'-P energy: -54.491 tors. eta vs tors. theta energy: -112.313 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: 10 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -953.185590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.185590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.185590 (E_RNA) where: Base-Base interactions energy: -643.370 where: short stacking energy: -267.679 Base-Backbone interact. energy: -1.699 local terms energy: -308.116629 where: bonds (distance) C4'-P energy: -57.832 bonds (distance) P-C4' energy: -68.276 flat angles C4'-P-C4' energy: -63.491 flat angles P-C4'-P energy: -44.134 tors. eta vs tors. theta energy: -74.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -866.856564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.856564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.856564 (E_RNA) where: Base-Base interactions energy: -567.436 where: short stacking energy: -239.418 Base-Backbone interact. energy: -0.871 local terms energy: -298.550008 where: bonds (distance) C4'-P energy: -64.113 bonds (distance) P-C4' energy: -83.732 flat angles C4'-P-C4' energy: -62.662 flat angles P-C4'-P energy: -41.969 tors. eta vs tors. theta energy: -46.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -365.142157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.142157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.142157 (E_RNA) where: Base-Base interactions energy: -132.910 where: short stacking energy: -106.597 Base-Backbone interact. energy: -1.196 local terms energy: -231.036097 where: bonds (distance) C4'-P energy: -63.078 bonds (distance) P-C4' energy: -68.789 flat angles C4'-P-C4' energy: -60.350 flat angles P-C4'-P energy: -38.862 tors. eta vs tors. theta energy: 0.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -308.045168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.045168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.045168 (E_RNA) where: Base-Base interactions energy: -114.444 where: short stacking energy: -95.974 Base-Backbone interact. energy: 0.376 local terms energy: -193.978087 where: bonds (distance) C4'-P energy: -56.358 bonds (distance) P-C4' energy: -66.036 flat angles C4'-P-C4' energy: -39.064 flat angles P-C4'-P energy: -32.968 tors. eta vs tors. theta energy: 0.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1380.306747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.306747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.306747 (E_RNA) where: Base-Base interactions energy: -951.625 where: short stacking energy: -428.173 Base-Backbone interact. energy: -2.917 local terms energy: -425.764656 where: bonds (distance) C4'-P energy: -72.943 bonds (distance) P-C4' energy: -81.836 flat angles C4'-P-C4' energy: -86.089 flat angles P-C4'-P energy: -69.316 tors. eta vs tors. theta energy: -115.579 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: 268 Temperature: 0.950000 Total energy: -1378.919166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.919166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.919166 (E_RNA) where: Base-Base interactions energy: -943.578 where: short stacking energy: -435.464 Base-Backbone interact. energy: -3.526 local terms energy: -431.815479 where: bonds (distance) C4'-P energy: -82.020 bonds (distance) P-C4' energy: -72.763 flat angles C4'-P-C4' energy: -88.464 flat angles P-C4'-P energy: -60.349 tors. eta vs tors. theta energy: -128.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1283.786648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.786648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.786648 (E_RNA) where: Base-Base interactions energy: -904.704 where: short stacking energy: -381.888 Base-Backbone interact. energy: -4.340 local terms energy: -374.743051 where: bonds (distance) C4'-P energy: -64.554 bonds (distance) P-C4' energy: -63.324 flat angles C4'-P-C4' energy: -88.890 flat angles P-C4'-P energy: -47.961 tors. eta vs tors. theta energy: -110.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1233.327656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.327656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.327656 (E_RNA) where: Base-Base interactions energy: -834.317 where: short stacking energy: -381.111 Base-Backbone interact. energy: -1.761 local terms energy: -397.249422 where: bonds (distance) C4'-P energy: -76.929 bonds (distance) P-C4' energy: -70.107 flat angles C4'-P-C4' energy: -84.116 flat angles P-C4'-P energy: -54.141 tors. eta vs tors. theta energy: -111.956 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: 6 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1225.954381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.954381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.954381 (E_RNA) where: Base-Base interactions energy: -827.506 where: short stacking energy: -380.391 Base-Backbone interact. energy: -2.735 local terms energy: -395.713271 where: bonds (distance) C4'-P energy: -72.732 bonds (distance) P-C4' energy: -78.527 flat angles C4'-P-C4' energy: -82.227 flat angles P-C4'-P energy: -48.253 tors. eta vs tors. theta energy: -113.974 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: 8 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1086.733250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.733250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.733250 (E_RNA) where: Base-Base interactions energy: -748.825 where: short stacking energy: -312.894 Base-Backbone interact. energy: -1.835 local terms energy: -336.073569 where: bonds (distance) C4'-P energy: -70.151 bonds (distance) P-C4' energy: -68.153 flat angles C4'-P-C4' energy: -69.163 flat angles P-C4'-P energy: -42.362 tors. eta vs tors. theta energy: -86.245 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: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -852.170487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.170487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.170487 (E_RNA) where: Base-Base interactions energy: -534.869 where: short stacking energy: -238.136 Base-Backbone interact. energy: -0.139 local terms energy: -317.162457 where: bonds (distance) C4'-P energy: -67.393 bonds (distance) P-C4' energy: -78.050 flat angles C4'-P-C4' energy: -73.051 flat angles P-C4'-P energy: -44.340 tors. eta vs tors. theta energy: -54.329 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: 10 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -837.878887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.878887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.878887 (E_RNA) where: Base-Base interactions energy: -549.005 where: short stacking energy: -246.019 Base-Backbone interact. energy: -2.163 local terms energy: -286.711105 where: bonds (distance) C4'-P energy: -46.881 bonds (distance) P-C4' energy: -64.747 flat angles C4'-P-C4' energy: -72.759 flat angles P-C4'-P energy: -46.169 tors. eta vs tors. theta energy: -56.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -365.143585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.143585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.143585 (E_RNA) where: Base-Base interactions energy: -132.636 where: short stacking energy: -122.009 Base-Backbone interact. energy: -1.714 local terms energy: -230.793336 where: bonds (distance) C4'-P energy: -66.185 bonds (distance) P-C4' energy: -62.305 flat angles C4'-P-C4' energy: -57.052 flat angles P-C4'-P energy: -38.215 tors. eta vs tors. theta energy: -7.037 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: 5 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -320.722367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.722367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.722367 (E_RNA) where: Base-Base interactions energy: -105.772 where: short stacking energy: -99.582 Base-Backbone interact. energy: -1.432 local terms energy: -213.518330 where: bonds (distance) C4'-P energy: -74.156 bonds (distance) P-C4' energy: -67.511 flat angles C4'-P-C4' energy: -59.912 flat angles P-C4'-P energy: -22.725 tors. eta vs tors. theta energy: 10.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1391.823787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.823787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.823787 (E_RNA) where: Base-Base interactions energy: -967.516 where: short stacking energy: -409.720 Base-Backbone interact. energy: -2.945 local terms energy: -421.362961 where: bonds (distance) C4'-P energy: -70.232 bonds (distance) P-C4' energy: -79.685 flat angles C4'-P-C4' energy: -91.298 flat angles P-C4'-P energy: -60.802 tors. eta vs tors. theta energy: -119.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1313.606158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.606158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.606158 (E_RNA) where: Base-Base interactions energy: -915.266 where: short stacking energy: -384.056 Base-Backbone interact. energy: 0.531 local terms energy: -398.871675 where: bonds (distance) C4'-P energy: -73.733 bonds (distance) P-C4' energy: -68.482 flat angles C4'-P-C4' energy: -88.448 flat angles P-C4'-P energy: -60.813 tors. eta vs tors. theta energy: -107.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1347.035919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.035919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.035919 (E_RNA) where: Base-Base interactions energy: -934.336 where: short stacking energy: -396.716 Base-Backbone interact. energy: 3.191 local terms energy: -415.891590 where: bonds (distance) C4'-P energy: -66.606 bonds (distance) P-C4' energy: -73.149 flat angles C4'-P-C4' energy: -93.005 flat angles P-C4'-P energy: -58.685 tors. eta vs tors. theta energy: -124.446 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: 6 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1262.278598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.278598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.278598 (E_RNA) where: Base-Base interactions energy: -868.317 where: short stacking energy: -376.482 Base-Backbone interact. energy: -1.487 local terms energy: -392.474713 where: bonds (distance) C4'-P energy: -68.362 bonds (distance) P-C4' energy: -72.925 flat angles C4'-P-C4' energy: -81.458 flat angles P-C4'-P energy: -60.066 tors. eta vs tors. theta energy: -109.665 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: 269 Temperature: 1.100000 Total energy: -1187.494604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.494604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.494604 (E_RNA) where: Base-Base interactions energy: -801.512 where: short stacking energy: -356.284 Base-Backbone interact. energy: -1.448 local terms energy: -384.534568 where: bonds (distance) C4'-P energy: -65.250 bonds (distance) P-C4' energy: -73.026 flat angles C4'-P-C4' energy: -87.322 flat angles P-C4'-P energy: -54.322 tors. eta vs tors. theta energy: -104.616 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: 8 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1092.214628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.214628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.214628 (E_RNA) where: Base-Base interactions energy: -734.048 where: short stacking energy: -311.677 Base-Backbone interact. energy: -1.570 local terms energy: -356.596645 where: bonds (distance) C4'-P energy: -72.507 bonds (distance) P-C4' energy: -66.744 flat angles C4'-P-C4' energy: -79.697 flat angles P-C4'-P energy: -51.509 tors. eta vs tors. theta energy: -86.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -897.564925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.564925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.564925 (E_RNA) where: Base-Base interactions energy: -592.602 where: short stacking energy: -248.044 Base-Backbone interact. energy: -1.987 local terms energy: -302.975513 where: bonds (distance) C4'-P energy: -68.973 bonds (distance) P-C4' energy: -53.789 flat angles C4'-P-C4' energy: -71.630 flat angles P-C4'-P energy: -43.717 tors. eta vs tors. theta energy: -64.868 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: 10 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -859.268908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.268908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.268908 (E_RNA) where: Base-Base interactions energy: -568.302 where: short stacking energy: -240.863 Base-Backbone interact. energy: -0.563 local terms energy: -290.403349 where: bonds (distance) C4'-P energy: -63.516 bonds (distance) P-C4' energy: -64.443 flat angles C4'-P-C4' energy: -67.091 flat angles P-C4'-P energy: -47.018 tors. eta vs tors. theta energy: -48.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -338.396470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.396470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.396470 (E_RNA) where: Base-Base interactions energy: -124.783 where: short stacking energy: -109.462 Base-Backbone interact. energy: -0.297 local terms energy: -213.315956 where: bonds (distance) C4'-P energy: -54.118 bonds (distance) P-C4' energy: -71.918 flat angles C4'-P-C4' energy: -58.394 flat angles P-C4'-P energy: -37.636 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: 10, replica: 5 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -339.161059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.161059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.161059 (E_RNA) where: Base-Base interactions energy: -131.947 where: short stacking energy: -113.582 Base-Backbone interact. energy: 0.708 local terms energy: -207.922220 where: bonds (distance) C4'-P energy: -63.999 bonds (distance) P-C4' energy: -68.748 flat angles C4'-P-C4' energy: -59.710 flat angles P-C4'-P energy: -26.246 tors. eta vs tors. theta energy: 10.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1367.733628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.733628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.733628 (E_RNA) where: Base-Base interactions energy: -958.041 where: short stacking energy: -418.246 Base-Backbone interact. energy: -1.886 local terms energy: -407.806510 where: bonds (distance) C4'-P energy: -77.325 bonds (distance) P-C4' energy: -70.971 flat angles C4'-P-C4' energy: -85.897 flat angles P-C4'-P energy: -61.752 tors. eta vs tors. theta energy: -111.862 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: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1310.582573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.582573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.582573 (E_RNA) where: Base-Base interactions energy: -896.976 where: short stacking energy: -367.594 Base-Backbone interact. energy: -3.450 local terms energy: -410.156338 where: bonds (distance) C4'-P energy: -76.906 bonds (distance) P-C4' energy: -79.763 flat angles C4'-P-C4' energy: -83.697 flat angles P-C4'-P energy: -58.531 tors. eta vs tors. theta energy: -111.258 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: 3, replica: 4 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1328.077236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.077236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.077236 (E_RNA) where: Base-Base interactions energy: -928.705 where: short stacking energy: -413.483 Base-Backbone interact. energy: -0.323 local terms energy: -399.049256 where: bonds (distance) C4'-P energy: -65.572 bonds (distance) P-C4' energy: -79.795 flat angles C4'-P-C4' energy: -84.992 flat angles P-C4'-P energy: -51.623 tors. eta vs tors. theta energy: -117.067 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: 4, replica: 6 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1268.756809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.756809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.756809 (E_RNA) where: Base-Base interactions energy: -873.995 where: short stacking energy: -381.963 Base-Backbone interact. energy: -0.345 local terms energy: -394.416423 where: bonds (distance) C4'-P energy: -70.851 bonds (distance) P-C4' energy: -73.067 flat angles C4'-P-C4' energy: -81.951 flat angles P-C4'-P energy: -63.359 tors. eta vs tors. theta energy: -105.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1182.886483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.886483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.886483 (E_RNA) where: Base-Base interactions energy: -800.004 where: short stacking energy: -371.905 Base-Backbone interact. energy: -0.355 local terms energy: -382.527593 where: bonds (distance) C4'-P energy: -62.918 bonds (distance) P-C4' energy: -68.885 flat angles C4'-P-C4' energy: -83.978 flat angles P-C4'-P energy: -57.628 tors. eta vs tors. theta energy: -109.118 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: 8 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1085.785087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.785087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.785087 (E_RNA) where: Base-Base interactions energy: -745.838 where: short stacking energy: -301.787 Base-Backbone interact. energy: -0.414 local terms energy: -339.532912 where: bonds (distance) C4'-P energy: -73.608 bonds (distance) P-C4' energy: -71.660 flat angles C4'-P-C4' energy: -60.164 flat angles P-C4'-P energy: -47.902 tors. eta vs tors. theta energy: -86.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -946.657616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.657616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.657616 (E_RNA) where: Base-Base interactions energy: -636.575 where: short stacking energy: -281.208 Base-Backbone interact. energy: -1.436 local terms energy: -308.646852 where: bonds (distance) C4'-P energy: -68.521 bonds (distance) P-C4' energy: -66.683 flat angles C4'-P-C4' energy: -70.707 flat angles P-C4'-P energy: -36.519 tors. eta vs tors. theta energy: -66.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -849.165728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.165728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.165728 (E_RNA) where: Base-Base interactions energy: -573.023 where: short stacking energy: -259.668 Base-Backbone interact. energy: 0.585 local terms energy: -276.728332 where: bonds (distance) C4'-P energy: -51.581 bonds (distance) P-C4' energy: -64.833 flat angles C4'-P-C4' energy: -68.535 flat angles P-C4'-P energy: -39.173 tors. eta vs tors. theta energy: -52.607 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: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -335.407840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.407840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.407840 (E_RNA) where: Base-Base interactions energy: -128.096 where: short stacking energy: -105.771 Base-Backbone interact. energy: -1.318 local terms energy: -205.993998 where: bonds (distance) C4'-P energy: -49.274 bonds (distance) P-C4' energy: -60.513 flat angles C4'-P-C4' energy: -67.974 flat angles P-C4'-P energy: -30.294 tors. eta vs tors. theta energy: 2.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -316.318616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.318616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.318616 (E_RNA) where: Base-Base interactions energy: -113.205 where: short stacking energy: -82.996 Base-Backbone interact. energy: -1.254 local terms energy: -201.859508 where: bonds (distance) C4'-P energy: -62.419 bonds (distance) P-C4' energy: -62.828 flat angles C4'-P-C4' energy: -39.577 flat angles P-C4'-P energy: -45.840 tors. eta vs tors. theta energy: 8.804 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: 3 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1392.347888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.347888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.347888 (E_RNA) where: Base-Base interactions energy: -954.469 where: short stacking energy: -416.316 Base-Backbone interact. energy: -2.766 local terms energy: -435.112357 where: bonds (distance) C4'-P energy: -75.444 bonds (distance) P-C4' energy: -79.460 flat angles C4'-P-C4' energy: -93.302 flat angles P-C4'-P energy: -68.134 tors. eta vs tors. theta energy: -118.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1382.081571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.081571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.081571 (E_RNA) where: Base-Base interactions energy: -968.054 where: short stacking energy: -413.089 Base-Backbone interact. energy: -3.882 local terms energy: -410.145495 where: bonds (distance) C4'-P energy: -72.224 bonds (distance) P-C4' energy: -76.926 flat angles C4'-P-C4' energy: -78.733 flat angles P-C4'-P energy: -63.206 tors. eta vs tors. theta energy: -119.057 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: 2 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1272.461576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.461576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.461576 (E_RNA) where: Base-Base interactions energy: -897.371 where: short stacking energy: -380.832 Base-Backbone interact. energy: -1.429 local terms energy: -373.661790 where: bonds (distance) C4'-P energy: -66.793 bonds (distance) P-C4' energy: -79.281 flat angles C4'-P-C4' energy: -80.690 flat angles P-C4'-P energy: -45.575 tors. eta vs tors. theta energy: -101.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1276.195878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.195878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.195878 (E_RNA) where: Base-Base interactions energy: -880.246 where: short stacking energy: -372.179 Base-Backbone interact. energy: -1.213 local terms energy: -394.736495 where: bonds (distance) C4'-P energy: -59.272 bonds (distance) P-C4' energy: -70.129 flat angles C4'-P-C4' energy: -90.456 flat angles P-C4'-P energy: -63.012 tors. eta vs tors. theta energy: -111.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1114.213930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.213930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.213930 (E_RNA) where: Base-Base interactions energy: -754.825 where: short stacking energy: -314.210 Base-Backbone interact. energy: -3.478 local terms energy: -355.910896 where: bonds (distance) C4'-P energy: -62.399 bonds (distance) P-C4' energy: -86.254 flat angles C4'-P-C4' energy: -70.379 flat angles P-C4'-P energy: -43.160 tors. eta vs tors. theta energy: -93.719 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: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1093.449716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.449716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.449716 (E_RNA) where: Base-Base interactions energy: -741.166 where: short stacking energy: -316.812 Base-Backbone interact. energy: -0.467 local terms energy: -351.816001 where: bonds (distance) C4'-P energy: -69.775 bonds (distance) P-C4' energy: -68.787 flat angles C4'-P-C4' energy: -68.638 flat angles P-C4'-P energy: -49.404 tors. eta vs tors. theta energy: -95.212 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: 9 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -938.205513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.205513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.205513 (E_RNA) where: Base-Base interactions energy: -622.679 where: short stacking energy: -264.924 Base-Backbone interact. energy: -4.347 local terms energy: -311.178927 where: bonds (distance) C4'-P energy: -55.639 bonds (distance) P-C4' energy: -72.645 flat angles C4'-P-C4' energy: -77.038 flat angles P-C4'-P energy: -43.210 tors. eta vs tors. theta energy: -62.647 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: 10 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -839.883977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.883977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.883977 (E_RNA) where: Base-Base interactions energy: -539.595 where: short stacking energy: -231.931 Base-Backbone interact. energy: -3.081 local terms energy: -297.207976 where: bonds (distance) C4'-P energy: -71.522 bonds (distance) P-C4' energy: -63.555 flat angles C4'-P-C4' energy: -68.754 flat angles P-C4'-P energy: -42.808 tors. eta vs tors. theta energy: -50.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -360.291294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.291294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.291294 (E_RNA) where: Base-Base interactions energy: -146.550 where: short stacking energy: -120.107 Base-Backbone interact. energy: -1.104 local terms energy: -212.637476 where: bonds (distance) C4'-P energy: -56.102 bonds (distance) P-C4' energy: -54.258 flat angles C4'-P-C4' energy: -60.566 flat angles P-C4'-P energy: -29.946 tors. eta vs tors. theta energy: -11.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -308.567560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.567560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.567560 (E_RNA) where: Base-Base interactions energy: -117.601 where: short stacking energy: -91.049 Base-Backbone interact. energy: 5.537 local terms energy: -196.503580 where: bonds (distance) C4'-P energy: -62.281 bonds (distance) P-C4' energy: -70.604 flat angles C4'-P-C4' energy: -44.497 flat angles P-C4'-P energy: -34.911 tors. eta vs tors. theta energy: 15.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1374.980350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.980350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.980350 (E_RNA) where: Base-Base interactions energy: -945.219 where: short stacking energy: -420.319 Base-Backbone interact. energy: -2.350 local terms energy: -427.411277 where: bonds (distance) C4'-P energy: -85.341 bonds (distance) P-C4' energy: -85.367 flat angles C4'-P-C4' energy: -91.666 flat angles P-C4'-P energy: -50.136 tors. eta vs tors. theta energy: -114.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1378.559729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.559729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.559729 (E_RNA) where: Base-Base interactions energy: -951.173 where: short stacking energy: -415.154 Base-Backbone interact. energy: -1.955 local terms energy: -425.432178 where: bonds (distance) C4'-P energy: -75.153 bonds (distance) P-C4' energy: -78.625 flat angles C4'-P-C4' energy: -91.337 flat angles P-C4'-P energy: -61.054 tors. eta vs tors. theta energy: -119.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1283.580402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.580402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.580402 (E_RNA) where: Base-Base interactions energy: -893.185 where: short stacking energy: -386.346 Base-Backbone interact. energy: 0.047 local terms energy: -390.441696 where: bonds (distance) C4'-P energy: -66.978 bonds (distance) P-C4' energy: -63.039 flat angles C4'-P-C4' energy: -92.570 flat angles P-C4'-P energy: -56.217 tors. eta vs tors. theta energy: -111.638 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: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1220.061479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.061479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.061479 (E_RNA) where: Base-Base interactions energy: -842.140 where: short stacking energy: -353.154 Base-Backbone interact. energy: -0.961 local terms energy: -376.959699 where: bonds (distance) C4'-P energy: -75.643 bonds (distance) P-C4' energy: -78.067 flat angles C4'-P-C4' energy: -73.995 flat angles P-C4'-P energy: -55.394 tors. eta vs tors. theta energy: -93.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1137.526742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.526742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.526742 (E_RNA) where: Base-Base interactions energy: -764.104 where: short stacking energy: -352.001 Base-Backbone interact. energy: -1.163 local terms energy: -372.260169 where: bonds (distance) C4'-P energy: -64.335 bonds (distance) P-C4' energy: -66.352 flat angles C4'-P-C4' energy: -78.678 flat angles P-C4'-P energy: -63.584 tors. eta vs tors. theta energy: -99.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1079.929525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.929525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.929525 (E_RNA) where: Base-Base interactions energy: -735.519 where: short stacking energy: -311.429 Base-Backbone interact. energy: -2.211 local terms energy: -342.199525 where: bonds (distance) C4'-P energy: -66.225 bonds (distance) P-C4' energy: -76.737 flat angles C4'-P-C4' energy: -76.138 flat angles P-C4'-P energy: -45.314 tors. eta vs tors. theta energy: -77.785 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: 9 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -958.785831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.785831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.785831 (E_RNA) where: Base-Base interactions energy: -645.676 where: short stacking energy: -270.610 Base-Backbone interact. energy: -0.856 local terms energy: -312.253887 where: bonds (distance) C4'-P energy: -59.841 bonds (distance) P-C4' energy: -54.568 flat angles C4'-P-C4' energy: -83.431 flat angles P-C4'-P energy: -41.514 tors. eta vs tors. theta energy: -72.900 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: 10 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -870.514234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.514234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.514234 (E_RNA) where: Base-Base interactions energy: -582.500 where: short stacking energy: -255.445 Base-Backbone interact. energy: -2.194 local terms energy: -285.819991 where: bonds (distance) C4'-P energy: -54.143 bonds (distance) P-C4' energy: -65.687 flat angles C4'-P-C4' energy: -71.573 flat angles P-C4'-P energy: -31.336 tors. eta vs tors. theta energy: -63.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -353.464415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.464415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.464415 (E_RNA) where: Base-Base interactions energy: -123.810 where: short stacking energy: -105.503 Base-Backbone interact. energy: -2.146 local terms energy: -227.507770 where: bonds (distance) C4'-P energy: -59.844 bonds (distance) P-C4' energy: -57.310 flat angles C4'-P-C4' energy: -66.441 flat angles P-C4'-P energy: -39.763 tors. eta vs tors. theta energy: -4.150 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: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -344.960020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.960020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.960020 (E_RNA) where: Base-Base interactions energy: -122.707 where: short stacking energy: -95.015 Base-Backbone interact. energy: 3.477 local terms energy: -225.730088 where: bonds (distance) C4'-P energy: -74.478 bonds (distance) P-C4' energy: -59.551 flat angles C4'-P-C4' energy: -54.177 flat angles P-C4'-P energy: -43.479 tors. eta vs tors. theta energy: 5.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1378.578234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.578234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.578234 (E_RNA) where: Base-Base interactions energy: -954.311 where: short stacking energy: -410.029 Base-Backbone interact. energy: -2.495 local terms energy: -421.771872 where: bonds (distance) C4'-P energy: -77.237 bonds (distance) P-C4' energy: -64.097 flat angles C4'-P-C4' energy: -86.704 flat angles P-C4'-P energy: -73.057 tors. eta vs tors. theta energy: -120.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1370.851791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.851791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.851791 (E_RNA) where: Base-Base interactions energy: -954.692 where: short stacking energy: -413.557 Base-Backbone interact. energy: -2.879 local terms energy: -413.280505 where: bonds (distance) C4'-P energy: -78.726 bonds (distance) P-C4' energy: -77.040 flat angles C4'-P-C4' energy: -82.976 flat angles P-C4'-P energy: -50.281 tors. eta vs tors. theta energy: -124.257 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: 6 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1312.852193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.852193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.852193 (E_RNA) where: Base-Base interactions energy: -926.116 where: short stacking energy: -396.487 Base-Backbone interact. energy: 0.551 local terms energy: -387.287097 where: bonds (distance) C4'-P energy: -63.216 bonds (distance) P-C4' energy: -80.516 flat angles C4'-P-C4' energy: -81.717 flat angles P-C4'-P energy: -46.540 tors. eta vs tors. theta energy: -115.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1227.679669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.679669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.679669 (E_RNA) where: Base-Base interactions energy: -831.818 where: short stacking energy: -378.037 Base-Backbone interact. energy: -1.232 local terms energy: -394.629580 where: bonds (distance) C4'-P energy: -70.993 bonds (distance) P-C4' energy: -74.634 flat angles C4'-P-C4' energy: -79.826 flat angles P-C4'-P energy: -54.869 tors. eta vs tors. theta energy: -114.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1176.267717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.267717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.267717 (E_RNA) where: Base-Base interactions energy: -815.973 where: short stacking energy: -328.990 Base-Backbone interact. energy: 0.254 local terms energy: -360.549003 where: bonds (distance) C4'-P energy: -65.995 bonds (distance) P-C4' energy: -62.001 flat angles C4'-P-C4' energy: -85.919 flat angles P-C4'-P energy: -41.298 tors. eta vs tors. theta energy: -105.336 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: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1081.888512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.888512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.888512 (E_RNA) where: Base-Base interactions energy: -718.147 where: short stacking energy: -329.954 Base-Backbone interact. energy: -0.991 local terms energy: -362.750831 where: bonds (distance) C4'-P energy: -67.371 bonds (distance) P-C4' energy: -79.746 flat angles C4'-P-C4' energy: -79.152 flat angles P-C4'-P energy: -48.062 tors. eta vs tors. theta energy: -88.420 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: 9 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -936.282395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.282395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.282395 (E_RNA) where: Base-Base interactions energy: -639.040 where: short stacking energy: -259.219 Base-Backbone interact. energy: -1.365 local terms energy: -295.877334 where: bonds (distance) C4'-P energy: -60.223 bonds (distance) P-C4' energy: -67.586 flat angles C4'-P-C4' energy: -74.681 flat angles P-C4'-P energy: -35.133 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: 8, replica: 10 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -942.628033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.628033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.628033 (E_RNA) where: Base-Base interactions energy: -639.527 where: short stacking energy: -274.461 Base-Backbone interact. energy: -4.218 local terms energy: -298.883177 where: bonds (distance) C4'-P energy: -63.587 bonds (distance) P-C4' energy: -54.761 flat angles C4'-P-C4' energy: -63.752 flat angles P-C4'-P energy: -60.024 tors. eta vs tors. theta energy: -56.758 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: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -375.252771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.252771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.252771 (E_RNA) where: Base-Base interactions energy: -145.236 where: short stacking energy: -114.814 Base-Backbone interact. energy: 0.578 local terms energy: -230.594930 where: bonds (distance) C4'-P energy: -67.440 bonds (distance) P-C4' energy: -61.460 flat angles C4'-P-C4' energy: -68.480 flat angles P-C4'-P energy: -36.548 tors. eta vs tors. theta energy: 3.333 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: 10, replica: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -338.117334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.117334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.117334 (E_RNA) where: Base-Base interactions energy: -114.269 where: short stacking energy: -97.923 Base-Backbone interact. energy: -1.330 local terms energy: -222.518484 where: bonds (distance) C4'-P energy: -66.144 bonds (distance) P-C4' energy: -66.491 flat angles C4'-P-C4' energy: -57.997 flat angles P-C4'-P energy: -29.201 tors. eta vs tors. theta energy: -2.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1434.830564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.830564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.830564 (E_RNA) where: Base-Base interactions energy: -984.229 where: short stacking energy: -419.645 Base-Backbone interact. energy: -2.072 local terms energy: -448.529583 where: bonds (distance) C4'-P energy: -84.037 bonds (distance) P-C4' energy: -79.565 flat angles C4'-P-C4' energy: -93.286 flat angles P-C4'-P energy: -63.409 tors. eta vs tors. theta energy: -128.234 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: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1362.807487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.807487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.807487 (E_RNA) where: Base-Base interactions energy: -934.685 where: short stacking energy: -398.472 Base-Backbone interact. energy: -0.454 local terms energy: -427.668819 where: bonds (distance) C4'-P energy: -82.797 bonds (distance) P-C4' energy: -68.808 flat angles C4'-P-C4' energy: -91.348 flat angles P-C4'-P energy: -63.163 tors. eta vs tors. theta energy: -121.553 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: 274 Temperature: 1.000000 Total energy: -1310.244025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.244025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.244025 (E_RNA) where: Base-Base interactions energy: -889.642 where: short stacking energy: -388.173 Base-Backbone interact. energy: -1.848 local terms energy: -418.754054 where: bonds (distance) C4'-P energy: -76.901 bonds (distance) P-C4' energy: -76.732 flat angles C4'-P-C4' energy: -93.786 flat angles P-C4'-P energy: -60.642 tors. eta vs tors. theta energy: -110.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1249.185295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.185295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.185295 (E_RNA) where: Base-Base interactions energy: -847.057 where: short stacking energy: -378.002 Base-Backbone interact. energy: -1.941 local terms energy: -400.187048 where: bonds (distance) C4'-P energy: -61.552 bonds (distance) P-C4' energy: -76.935 flat angles C4'-P-C4' energy: -89.542 flat angles P-C4'-P energy: -55.159 tors. eta vs tors. theta energy: -116.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1162.116475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.116475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.116475 (E_RNA) where: Base-Base interactions energy: -786.138 where: short stacking energy: -330.229 Base-Backbone interact. energy: -2.633 local terms energy: -373.345171 where: bonds (distance) C4'-P energy: -64.313 bonds (distance) P-C4' energy: -75.810 flat angles C4'-P-C4' energy: -86.580 flat angles P-C4'-P energy: -46.439 tors. eta vs tors. theta energy: -100.203 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: 8 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1078.564365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.564365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.564365 (E_RNA) where: Base-Base interactions energy: -747.148 where: short stacking energy: -320.153 Base-Backbone interact. energy: 3.036 local terms energy: -334.452867 where: bonds (distance) C4'-P energy: -59.757 bonds (distance) P-C4' energy: -61.002 flat angles C4'-P-C4' energy: -82.432 flat angles P-C4'-P energy: -41.012 tors. eta vs tors. theta energy: -90.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -954.577657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.577657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.577657 (E_RNA) where: Base-Base interactions energy: -641.537 where: short stacking energy: -276.790 Base-Backbone interact. energy: -1.020 local terms energy: -312.020116 where: bonds (distance) C4'-P energy: -63.481 bonds (distance) P-C4' energy: -50.419 flat angles C4'-P-C4' energy: -83.804 flat angles P-C4'-P energy: -52.980 tors. eta vs tors. theta energy: -61.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -868.979610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.979610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.979610 (E_RNA) where: Base-Base interactions energy: -580.679 where: short stacking energy: -241.633 Base-Backbone interact. energy: 0.185 local terms energy: -288.485826 where: bonds (distance) C4'-P energy: -69.375 bonds (distance) P-C4' energy: -71.850 flat angles C4'-P-C4' energy: -60.910 flat angles P-C4'-P energy: -31.299 tors. eta vs tors. theta energy: -55.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -353.313282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.313282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.313282 (E_RNA) where: Base-Base interactions energy: -132.494 where: short stacking energy: -104.666 Base-Backbone interact. energy: 0.457 local terms energy: -221.276878 where: bonds (distance) C4'-P energy: -66.383 bonds (distance) P-C4' energy: -71.496 flat angles C4'-P-C4' energy: -61.044 flat angles P-C4'-P energy: -22.028 tors. eta vs tors. theta energy: -0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -316.448973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.448973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.448973 (E_RNA) where: Base-Base interactions energy: -122.446 where: short stacking energy: -87.469 Base-Backbone interact. energy: 0.685 local terms energy: -194.687756 where: bonds (distance) C4'-P energy: -52.979 bonds (distance) P-C4' energy: -66.708 flat angles C4'-P-C4' energy: -47.918 flat angles P-C4'-P energy: -38.504 tors. eta vs tors. theta energy: 11.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1397.501096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.501096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.501096 (E_RNA) where: Base-Base interactions energy: -954.367 where: short stacking energy: -418.125 Base-Backbone interact. energy: -1.464 local terms energy: -441.669228 where: bonds (distance) C4'-P energy: -84.670 bonds (distance) P-C4' energy: -79.577 flat angles C4'-P-C4' energy: -87.626 flat angles P-C4'-P energy: -61.628 tors. eta vs tors. theta energy: -128.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1348.869552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.869552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.869552 (E_RNA) where: Base-Base interactions energy: -929.300 where: short stacking energy: -392.101 Base-Backbone interact. energy: -1.262 local terms energy: -418.307171 where: bonds (distance) C4'-P energy: -74.993 bonds (distance) P-C4' energy: -82.566 flat angles C4'-P-C4' energy: -82.075 flat angles P-C4'-P energy: -63.119 tors. eta vs tors. theta energy: -115.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1304.137394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.137394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.137394 (E_RNA) where: Base-Base interactions energy: -900.865 where: short stacking energy: -397.014 Base-Backbone interact. energy: -0.411 local terms energy: -402.861133 where: bonds (distance) C4'-P energy: -64.183 bonds (distance) P-C4' energy: -80.087 flat angles C4'-P-C4' energy: -88.113 flat angles P-C4'-P energy: -52.852 tors. eta vs tors. theta energy: -117.626 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: 7 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1236.268924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.268924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.268924 (E_RNA) where: Base-Base interactions energy: -842.934 where: short stacking energy: -387.180 Base-Backbone interact. energy: -0.589 local terms energy: -392.746708 where: bonds (distance) C4'-P energy: -63.456 bonds (distance) P-C4' energy: -71.224 flat angles C4'-P-C4' energy: -85.922 flat angles P-C4'-P energy: -52.742 tors. eta vs tors. theta energy: -119.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1193.446638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.446638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.446638 (E_RNA) where: Base-Base interactions energy: -800.514 where: short stacking energy: -347.452 Base-Backbone interact. energy: -1.642 local terms energy: -391.290647 where: bonds (distance) C4'-P energy: -70.435 bonds (distance) P-C4' energy: -78.997 flat angles C4'-P-C4' energy: -81.109 flat angles P-C4'-P energy: -55.740 tors. eta vs tors. theta energy: -105.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1075.589791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.589791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.589791 (E_RNA) where: Base-Base interactions energy: -733.550 where: short stacking energy: -302.980 Base-Backbone interact. energy: -1.396 local terms energy: -340.643197 where: bonds (distance) C4'-P energy: -69.099 bonds (distance) P-C4' energy: -66.683 flat angles C4'-P-C4' energy: -75.678 flat angles P-C4'-P energy: -45.849 tors. eta vs tors. theta energy: -83.335 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: 10 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -955.535501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.535501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.535501 (E_RNA) where: Base-Base interactions energy: -640.047 where: short stacking energy: -282.124 Base-Backbone interact. energy: -1.708 local terms energy: -313.780993 where: bonds (distance) C4'-P energy: -51.065 bonds (distance) P-C4' energy: -69.980 flat angles C4'-P-C4' energy: -60.196 flat angles P-C4'-P energy: -46.931 tors. eta vs tors. theta energy: -85.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -863.572498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.572498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.572498 (E_RNA) where: Base-Base interactions energy: -552.807 where: short stacking energy: -228.787 Base-Backbone interact. energy: 0.066 local terms energy: -310.831404 where: bonds (distance) C4'-P energy: -69.572 bonds (distance) P-C4' energy: -72.915 flat angles C4'-P-C4' energy: -67.302 flat angles P-C4'-P energy: -46.621 tors. eta vs tors. theta energy: -54.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -363.504097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.504097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.504097 (E_RNA) where: Base-Base interactions energy: -131.317 where: short stacking energy: -115.513 Base-Backbone interact. energy: -0.642 local terms energy: -231.544442 where: bonds (distance) C4'-P energy: -73.984 bonds (distance) P-C4' energy: -81.214 flat angles C4'-P-C4' energy: -44.907 flat angles P-C4'-P energy: -33.299 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: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -309.812724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.812724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.812724 (E_RNA) where: Base-Base interactions energy: -119.016 where: short stacking energy: -99.615 Base-Backbone interact. energy: -1.433 local terms energy: -189.363683 where: bonds (distance) C4'-P energy: -57.179 bonds (distance) P-C4' energy: -66.716 flat angles C4'-P-C4' energy: -44.075 flat angles P-C4'-P energy: -23.551 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: 4 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1397.687954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.687954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.687954 (E_RNA) where: Base-Base interactions energy: -962.255 where: short stacking energy: -423.595 Base-Backbone interact. energy: -1.849 local terms energy: -433.583837 where: bonds (distance) C4'-P energy: -71.581 bonds (distance) P-C4' energy: -81.857 flat angles C4'-P-C4' energy: -85.578 flat angles P-C4'-P energy: -61.125 tors. eta vs tors. theta energy: -133.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1362.665266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.665266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.665266 (E_RNA) where: Base-Base interactions energy: -952.363 where: short stacking energy: -415.572 Base-Backbone interact. energy: -0.741 local terms energy: -409.562121 where: bonds (distance) C4'-P energy: -70.840 bonds (distance) P-C4' energy: -74.046 flat angles C4'-P-C4' energy: -89.341 flat angles P-C4'-P energy: -64.126 tors. eta vs tors. theta energy: -111.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1328.392502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.392502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.392502 (E_RNA) where: Base-Base interactions energy: -907.821 where: short stacking energy: -397.996 Base-Backbone interact. energy: -2.307 local terms energy: -418.264672 where: bonds (distance) C4'-P energy: -72.013 bonds (distance) P-C4' energy: -81.107 flat angles C4'-P-C4' energy: -95.783 flat angles P-C4'-P energy: -60.148 tors. eta vs tors. theta energy: -109.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1273.034599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.034599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.034599 (E_RNA) where: Base-Base interactions energy: -855.375 where: short stacking energy: -395.355 Base-Backbone interact. energy: -0.467 local terms energy: -417.192204 where: bonds (distance) C4'-P energy: -66.822 bonds (distance) P-C4' energy: -78.876 flat angles C4'-P-C4' energy: -89.085 flat angles P-C4'-P energy: -54.193 tors. eta vs tors. theta energy: -128.216 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: 2 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1159.609057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.609057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.609057 (E_RNA) where: Base-Base interactions energy: -809.147 where: short stacking energy: -338.353 Base-Backbone interact. energy: -1.052 local terms energy: -349.409864 where: bonds (distance) C4'-P energy: -54.349 bonds (distance) P-C4' energy: -75.607 flat angles C4'-P-C4' energy: -72.203 flat angles P-C4'-P energy: -56.190 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: 6, replica: 8 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1042.272770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.272770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.272770 (E_RNA) where: Base-Base interactions energy: -704.332 where: short stacking energy: -298.932 Base-Backbone interact. energy: 1.139 local terms energy: -339.080252 where: bonds (distance) C4'-P energy: -63.843 bonds (distance) P-C4' energy: -71.471 flat angles C4'-P-C4' energy: -68.548 flat angles P-C4'-P energy: -52.018 tors. eta vs tors. theta energy: -83.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -926.185006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.185006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.185006 (E_RNA) where: Base-Base interactions energy: -612.132 where: short stacking energy: -273.899 Base-Backbone interact. energy: -1.610 local terms energy: -312.443173 where: bonds (distance) C4'-P energy: -64.161 bonds (distance) P-C4' energy: -68.488 flat angles C4'-P-C4' energy: -73.092 flat angles P-C4'-P energy: -44.341 tors. eta vs tors. theta energy: -62.360 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: 9 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -870.152353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.152353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.152353 (E_RNA) where: Base-Base interactions energy: -564.411 where: short stacking energy: -249.303 Base-Backbone interact. energy: -1.618 local terms energy: -304.123816 where: bonds (distance) C4'-P energy: -53.377 bonds (distance) P-C4' energy: -85.635 flat angles C4'-P-C4' energy: -67.329 flat angles P-C4'-P energy: -34.672 tors. eta vs tors. theta energy: -63.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -369.581026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.581026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.581026 (E_RNA) where: Base-Base interactions energy: -126.049 where: short stacking energy: -98.483 Base-Backbone interact. energy: 2.434 local terms energy: -245.965667 where: bonds (distance) C4'-P energy: -77.024 bonds (distance) P-C4' energy: -77.738 flat angles C4'-P-C4' energy: -66.598 flat angles P-C4'-P energy: -39.075 tors. eta vs tors. theta energy: 14.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -372.132112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.132112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.132112 (E_RNA) where: Base-Base interactions energy: -192.452 where: short stacking energy: -110.097 Base-Backbone interact. energy: -3.221 local terms energy: -176.459160 where: bonds (distance) C4'-P energy: -55.981 bonds (distance) P-C4' energy: -60.770 flat angles C4'-P-C4' energy: -46.153 flat angles P-C4'-P energy: -13.175 tors. eta vs tors. theta energy: -0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1409.147763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.147763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.147763 (E_RNA) where: Base-Base interactions energy: -974.744 where: short stacking energy: -424.370 Base-Backbone interact. energy: -3.565 local terms energy: -430.838563 where: bonds (distance) C4'-P energy: -74.740 bonds (distance) P-C4' energy: -75.362 flat angles C4'-P-C4' energy: -94.712 flat angles P-C4'-P energy: -58.294 tors. eta vs tors. theta energy: -127.730 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: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1358.323527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.323527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.323527 (E_RNA) where: Base-Base interactions energy: -935.764 where: short stacking energy: -407.872 Base-Backbone interact. energy: -0.914 local terms energy: -421.645083 where: bonds (distance) C4'-P energy: -72.016 bonds (distance) P-C4' energy: -82.096 flat angles C4'-P-C4' energy: -83.104 flat angles P-C4'-P energy: -69.498 tors. eta vs tors. theta energy: -114.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1289.493464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.493464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.493464 (E_RNA) where: Base-Base interactions energy: -903.115 where: short stacking energy: -381.585 Base-Backbone interact. energy: -1.185 local terms energy: -385.193042 where: bonds (distance) C4'-P energy: -61.775 bonds (distance) P-C4' energy: -78.762 flat angles C4'-P-C4' energy: -88.233 flat angles P-C4'-P energy: -51.861 tors. eta vs tors. theta energy: -104.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1257.128744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.128744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.128744 (E_RNA) where: Base-Base interactions energy: -855.408 where: short stacking energy: -389.969 Base-Backbone interact. energy: -0.341 local terms energy: -401.379372 where: bonds (distance) C4'-P energy: -70.020 bonds (distance) P-C4' energy: -75.379 flat angles C4'-P-C4' energy: -83.946 flat angles P-C4'-P energy: -49.284 tors. eta vs tors. theta energy: -122.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1192.073931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.073931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.073931 (E_RNA) where: Base-Base interactions energy: -832.244 where: short stacking energy: -347.127 Base-Backbone interact. energy: -3.055 local terms energy: -356.774824 where: bonds (distance) C4'-P energy: -65.559 bonds (distance) P-C4' energy: -56.638 flat angles C4'-P-C4' energy: -76.715 flat angles P-C4'-P energy: -55.040 tors. eta vs tors. theta energy: -102.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1014.977386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.977386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.977386 (E_RNA) where: Base-Base interactions energy: -686.815 where: short stacking energy: -298.945 Base-Backbone interact. energy: 0.033 local terms energy: -328.196071 where: bonds (distance) C4'-P energy: -64.840 bonds (distance) P-C4' energy: -80.954 flat angles C4'-P-C4' energy: -68.676 flat angles P-C4'-P energy: -45.305 tors. eta vs tors. theta energy: -68.422 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: 10 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -934.345541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.345541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.345541 (E_RNA) where: Base-Base interactions energy: -629.803 where: short stacking energy: -286.082 Base-Backbone interact. energy: -5.147 local terms energy: -299.395193 where: bonds (distance) C4'-P energy: -50.821 bonds (distance) P-C4' energy: -58.713 flat angles C4'-P-C4' energy: -73.977 flat angles P-C4'-P energy: -41.520 tors. eta vs tors. theta energy: -74.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -892.640104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.640104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.640104 (E_RNA) where: Base-Base interactions energy: -595.407 where: short stacking energy: -261.853 Base-Backbone interact. energy: -2.023 local terms energy: -295.209324 where: bonds (distance) C4'-P energy: -57.806 bonds (distance) P-C4' energy: -66.346 flat angles C4'-P-C4' energy: -71.957 flat angles P-C4'-P energy: -40.831 tors. eta vs tors. theta energy: -58.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -359.146393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.146393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.146393 (E_RNA) where: Base-Base interactions energy: -113.280 where: short stacking energy: -96.534 Base-Backbone interact. energy: 0.876 local terms energy: -246.742324 where: bonds (distance) C4'-P energy: -70.481 bonds (distance) P-C4' energy: -76.979 flat angles C4'-P-C4' energy: -60.472 flat angles P-C4'-P energy: -40.288 tors. eta vs tors. theta energy: 1.477 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: 5 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -421.406987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.406987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.406987 (E_RNA) where: Base-Base interactions energy: -204.368 where: short stacking energy: -119.187 Base-Backbone interact. energy: 2.467 local terms energy: -219.506082 where: bonds (distance) C4'-P energy: -58.659 bonds (distance) P-C4' energy: -75.137 flat angles C4'-P-C4' energy: -50.659 flat angles P-C4'-P energy: -39.907 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: 4 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1395.647346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.647346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.647346 (E_RNA) where: Base-Base interactions energy: -948.730 where: short stacking energy: -423.372 Base-Backbone interact. energy: -1.145 local terms energy: -445.772983 where: bonds (distance) C4'-P energy: -83.897 bonds (distance) P-C4' energy: -76.943 flat angles C4'-P-C4' energy: -93.204 flat angles P-C4'-P energy: -55.719 tors. eta vs tors. theta energy: -136.011 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: 3 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1342.837031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.837031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.837031 (E_RNA) where: Base-Base interactions energy: -921.075 where: short stacking energy: -408.613 Base-Backbone interact. energy: -2.290 local terms energy: -419.471947 where: bonds (distance) C4'-P energy: -73.926 bonds (distance) P-C4' energy: -79.122 flat angles C4'-P-C4' energy: -89.212 flat angles P-C4'-P energy: -61.611 tors. eta vs tors. theta energy: -115.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1265.889512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.889512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.889512 (E_RNA) where: Base-Base interactions energy: -843.765 where: short stacking energy: -383.596 Base-Backbone interact. energy: -0.450 local terms energy: -421.674791 where: bonds (distance) C4'-P energy: -85.735 bonds (distance) P-C4' energy: -81.627 flat angles C4'-P-C4' energy: -80.374 flat angles P-C4'-P energy: -57.316 tors. eta vs tors. theta energy: -116.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1272.960775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.960775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.960775 (E_RNA) where: Base-Base interactions energy: -902.643 where: short stacking energy: -384.315 Base-Backbone interact. energy: 0.364 local terms energy: -370.681749 where: bonds (distance) C4'-P energy: -60.125 bonds (distance) P-C4' energy: -66.082 flat angles C4'-P-C4' energy: -79.324 flat angles P-C4'-P energy: -48.586 tors. eta vs tors. theta energy: -116.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1171.480118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.480118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.480118 (E_RNA) where: Base-Base interactions energy: -801.154 where: short stacking energy: -334.574 Base-Backbone interact. energy: 0.750 local terms energy: -371.075649 where: bonds (distance) C4'-P energy: -75.069 bonds (distance) P-C4' energy: -74.157 flat angles C4'-P-C4' energy: -81.008 flat angles P-C4'-P energy: -50.022 tors. eta vs tors. theta energy: -90.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1022.151492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.151492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.151492 (E_RNA) where: Base-Base interactions energy: -694.918 where: short stacking energy: -283.093 Base-Backbone interact. energy: -1.491 local terms energy: -325.742176 where: bonds (distance) C4'-P energy: -57.279 bonds (distance) P-C4' energy: -69.169 flat angles C4'-P-C4' energy: -75.754 flat angles P-C4'-P energy: -42.557 tors. eta vs tors. theta energy: -80.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -893.398385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.398385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.398385 (E_RNA) where: Base-Base interactions energy: -597.788 where: short stacking energy: -252.510 Base-Backbone interact. energy: -2.745 local terms energy: -292.864497 where: bonds (distance) C4'-P energy: -56.465 bonds (distance) P-C4' energy: -64.885 flat angles C4'-P-C4' energy: -69.387 flat angles P-C4'-P energy: -36.810 tors. eta vs tors. theta energy: -65.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -862.425122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.425122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.425122 (E_RNA) where: Base-Base interactions energy: -599.870 where: short stacking energy: -261.766 Base-Backbone interact. energy: 0.109 local terms energy: -262.664602 where: bonds (distance) C4'-P energy: -63.556 bonds (distance) P-C4' energy: -52.040 flat angles C4'-P-C4' energy: -57.615 flat angles P-C4'-P energy: -33.938 tors. eta vs tors. theta energy: -55.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -410.346218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.346218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.346218 (E_RNA) where: Base-Base interactions energy: -177.671 where: short stacking energy: -124.786 Base-Backbone interact. energy: 0.663 local terms energy: -233.338937 where: bonds (distance) C4'-P energy: -47.530 bonds (distance) P-C4' energy: -74.122 flat angles C4'-P-C4' energy: -65.451 flat angles P-C4'-P energy: -31.645 tors. eta vs tors. theta energy: -14.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -344.473663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.473663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.473663 (E_RNA) where: Base-Base interactions energy: -125.097 where: short stacking energy: -112.842 Base-Backbone interact. energy: 0.539 local terms energy: -219.915452 where: bonds (distance) C4'-P energy: -63.552 bonds (distance) P-C4' energy: -63.967 flat angles C4'-P-C4' energy: -58.301 flat angles P-C4'-P energy: -31.707 tors. eta vs tors. theta energy: -2.388 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: 4 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1399.371879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.371879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.371879 (E_RNA) where: Base-Base interactions energy: -960.695 where: short stacking energy: -408.180 Base-Backbone interact. energy: -0.896 local terms energy: -437.780640 where: bonds (distance) C4'-P energy: -86.162 bonds (distance) P-C4' energy: -77.373 flat angles C4'-P-C4' energy: -94.109 flat angles P-C4'-P energy: -55.976 tors. eta vs tors. theta energy: -124.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1341.075619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.075619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.075619 (E_RNA) where: Base-Base interactions energy: -921.717 where: short stacking energy: -406.306 Base-Backbone interact. energy: -1.002 local terms energy: -418.355775 where: bonds (distance) C4'-P energy: -74.983 bonds (distance) P-C4' energy: -76.898 flat angles C4'-P-C4' energy: -84.583 flat angles P-C4'-P energy: -65.163 tors. eta vs tors. theta energy: -116.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1280.823396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.823396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.823396 (E_RNA) where: Base-Base interactions energy: -864.367 where: short stacking energy: -408.937 Base-Backbone interact. energy: -1.352 local terms energy: -415.103548 where: bonds (distance) C4'-P energy: -70.840 bonds (distance) P-C4' energy: -80.627 flat angles C4'-P-C4' energy: -87.753 flat angles P-C4'-P energy: -46.585 tors. eta vs tors. theta energy: -129.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1292.934005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.934005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.934005 (E_RNA) where: Base-Base interactions energy: -899.968 where: short stacking energy: -390.528 Base-Backbone interact. energy: -0.345 local terms energy: -392.620919 where: bonds (distance) C4'-P energy: -68.900 bonds (distance) P-C4' energy: -68.533 flat angles C4'-P-C4' energy: -76.523 flat angles P-C4'-P energy: -64.016 tors. eta vs tors. theta energy: -114.650 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: 279 Temperature: 1.100000 Total energy: -1160.682434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.682434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.682434 (E_RNA) where: Base-Base interactions energy: -778.894 where: short stacking energy: -328.580 Base-Backbone interact. energy: -1.732 local terms energy: -380.056145 where: bonds (distance) C4'-P energy: -76.611 bonds (distance) P-C4' energy: -74.936 flat angles C4'-P-C4' energy: -79.599 flat angles P-C4'-P energy: -45.010 tors. eta vs tors. theta energy: -103.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1015.360190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.360190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.360190 (E_RNA) where: Base-Base interactions energy: -671.461 where: short stacking energy: -273.867 Base-Backbone interact. energy: -1.707 local terms energy: -342.192034 where: bonds (distance) C4'-P energy: -74.749 bonds (distance) P-C4' energy: -75.390 flat angles C4'-P-C4' energy: -62.494 flat angles P-C4'-P energy: -57.413 tors. eta vs tors. theta energy: -72.146 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: 9 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -889.406266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.406266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.406266 (E_RNA) where: Base-Base interactions energy: -572.723 where: short stacking energy: -250.141 Base-Backbone interact. energy: -3.151 local terms energy: -313.532403 where: bonds (distance) C4'-P energy: -70.686 bonds (distance) P-C4' energy: -76.143 flat angles C4'-P-C4' energy: -76.036 flat angles P-C4'-P energy: -38.196 tors. eta vs tors. theta energy: -52.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -883.066331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.066331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.066331 (E_RNA) where: Base-Base interactions energy: -600.534 where: short stacking energy: -266.860 Base-Backbone interact. energy: -1.807 local terms energy: -280.725754 where: bonds (distance) C4'-P energy: -62.158 bonds (distance) P-C4' energy: -64.825 flat angles C4'-P-C4' energy: -65.214 flat angles P-C4'-P energy: -29.217 tors. eta vs tors. theta energy: -59.311 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: 5 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -370.085700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.085700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.085700 (E_RNA) where: Base-Base interactions energy: -129.535 where: short stacking energy: -104.963 Base-Backbone interact. energy: 0.881 local terms energy: -241.431596 where: bonds (distance) C4'-P energy: -73.820 bonds (distance) P-C4' energy: -62.225 flat angles C4'-P-C4' energy: -62.303 flat angles P-C4'-P energy: -35.248 tors. eta vs tors. theta energy: -7.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -306.158830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.158830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.158830 (E_RNA) where: Base-Base interactions energy: -106.836 where: short stacking energy: -84.469 Base-Backbone interact. energy: 0.142 local terms energy: -199.464766 where: bonds (distance) C4'-P energy: -53.400 bonds (distance) P-C4' energy: -67.669 flat angles C4'-P-C4' energy: -58.893 flat angles P-C4'-P energy: -27.839 tors. eta vs tors. theta energy: 8.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1404.908494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.908494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.908494 (E_RNA) where: Base-Base interactions energy: -972.975 where: short stacking energy: -420.089 Base-Backbone interact. energy: -1.061 local terms energy: -430.872763 where: bonds (distance) C4'-P energy: -76.828 bonds (distance) P-C4' energy: -74.872 flat angles C4'-P-C4' energy: -93.134 flat angles P-C4'-P energy: -56.774 tors. eta vs tors. theta energy: -129.265 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: 3 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1342.546849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.546849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.546849 (E_RNA) where: Base-Base interactions energy: -948.413 where: short stacking energy: -385.120 Base-Backbone interact. energy: -1.188 local terms energy: -392.945677 where: bonds (distance) C4'-P energy: -76.882 bonds (distance) P-C4' energy: -64.161 flat angles C4'-P-C4' energy: -83.776 flat angles P-C4'-P energy: -60.978 tors. eta vs tors. theta energy: -107.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1277.003459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.003459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.003459 (E_RNA) where: Base-Base interactions energy: -869.782 where: short stacking energy: -390.989 Base-Backbone interact. energy: -0.333 local terms energy: -406.888549 where: bonds (distance) C4'-P energy: -76.081 bonds (distance) P-C4' energy: -75.696 flat angles C4'-P-C4' energy: -88.431 flat angles P-C4'-P energy: -51.329 tors. eta vs tors. theta energy: -115.351 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: 4, replica: 6 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1291.491104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.491104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.491104 (E_RNA) where: Base-Base interactions energy: -895.232 where: short stacking energy: -381.167 Base-Backbone interact. energy: -1.806 local terms energy: -394.452663 where: bonds (distance) C4'-P energy: -77.233 bonds (distance) P-C4' energy: -62.089 flat angles C4'-P-C4' energy: -90.960 flat angles P-C4'-P energy: -53.681 tors. eta vs tors. theta energy: -110.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1153.944872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.944872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.944872 (E_RNA) where: Base-Base interactions energy: -792.867 where: short stacking energy: -343.473 Base-Backbone interact. energy: -1.090 local terms energy: -359.988144 where: bonds (distance) C4'-P energy: -65.926 bonds (distance) P-C4' energy: -57.961 flat angles C4'-P-C4' energy: -84.671 flat angles P-C4'-P energy: -52.936 tors. eta vs tors. theta energy: -98.495 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: 6, replica: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1032.461666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.461666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.461666 (E_RNA) where: Base-Base interactions energy: -705.416 where: short stacking energy: -317.047 Base-Backbone interact. energy: -0.070 local terms energy: -326.976137 where: bonds (distance) C4'-P energy: -64.756 bonds (distance) P-C4' energy: -68.251 flat angles C4'-P-C4' energy: -71.504 flat angles P-C4'-P energy: -38.932 tors. eta vs tors. theta energy: -83.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -928.933423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.933423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.933423 (E_RNA) where: Base-Base interactions energy: -606.086 where: short stacking energy: -269.276 Base-Backbone interact. energy: -2.959 local terms energy: -319.888193 where: bonds (distance) C4'-P energy: -64.852 bonds (distance) P-C4' energy: -74.649 flat angles C4'-P-C4' energy: -62.404 flat angles P-C4'-P energy: -50.419 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: 8, replica: 9 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -803.287479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.287479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.287479 (E_RNA) where: Base-Base interactions energy: -504.088 where: short stacking energy: -232.374 Base-Backbone interact. energy: -0.699 local terms energy: -298.500927 where: bonds (distance) C4'-P energy: -68.117 bonds (distance) P-C4' energy: -64.336 flat angles C4'-P-C4' energy: -65.755 flat angles P-C4'-P energy: -46.991 tors. eta vs tors. theta energy: -53.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -488.774991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.774991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.774991 (E_RNA) where: Base-Base interactions energy: -239.165 where: short stacking energy: -134.623 Base-Backbone interact. energy: -0.347 local terms energy: -249.262516 where: bonds (distance) C4'-P energy: -68.853 bonds (distance) P-C4' energy: -72.895 flat angles C4'-P-C4' energy: -60.464 flat angles P-C4'-P energy: -45.241 tors. eta vs tors. theta energy: -1.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -345.580029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.580029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.580029 (E_RNA) where: Base-Base interactions energy: -109.766 where: short stacking energy: -96.024 Base-Backbone interact. energy: 2.575 local terms energy: -238.389450 where: bonds (distance) C4'-P energy: -62.849 bonds (distance) P-C4' energy: -70.018 flat angles C4'-P-C4' energy: -60.074 flat angles P-C4'-P energy: -40.707 tors. eta vs tors. theta energy: -4.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1411.441397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.441397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.441397 (E_RNA) where: Base-Base interactions energy: -956.420 where: short stacking energy: -417.472 Base-Backbone interact. energy: -3.020 local terms energy: -452.001539 where: bonds (distance) C4'-P energy: -85.576 bonds (distance) P-C4' energy: -83.040 flat angles C4'-P-C4' energy: -87.215 flat angles P-C4'-P energy: -62.886 tors. eta vs tors. theta energy: -133.284 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: 3 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1355.756670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.756670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.756670 (E_RNA) where: Base-Base interactions energy: -940.547 where: short stacking energy: -406.685 Base-Backbone interact. energy: -0.987 local terms energy: -414.223324 where: bonds (distance) C4'-P energy: -70.547 bonds (distance) P-C4' energy: -78.742 flat angles C4'-P-C4' energy: -83.907 flat angles P-C4'-P energy: -60.635 tors. eta vs tors. theta energy: -120.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1276.663900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.663900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.663900 (E_RNA) where: Base-Base interactions energy: -862.853 where: short stacking energy: -399.644 Base-Backbone interact. energy: -1.062 local terms energy: -412.749112 where: bonds (distance) C4'-P energy: -80.292 bonds (distance) P-C4' energy: -66.348 flat angles C4'-P-C4' energy: -84.355 flat angles P-C4'-P energy: -58.596 tors. eta vs tors. theta energy: -123.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1266.506927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.506927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.506927 (E_RNA) where: Base-Base interactions energy: -864.770 where: short stacking energy: -383.828 Base-Backbone interact. energy: -5.198 local terms energy: -396.539580 where: bonds (distance) C4'-P energy: -64.147 bonds (distance) P-C4' energy: -74.031 flat angles C4'-P-C4' energy: -90.463 flat angles P-C4'-P energy: -63.499 tors. eta vs tors. theta energy: -104.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1178.143372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.143372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.143372 (E_RNA) where: Base-Base interactions energy: -794.067 where: short stacking energy: -357.135 Base-Backbone interact. energy: -2.169 local terms energy: -381.907026 where: bonds (distance) C4'-P energy: -73.974 bonds (distance) P-C4' energy: -70.101 flat angles C4'-P-C4' energy: -81.800 flat angles P-C4'-P energy: -51.787 tors. eta vs tors. theta energy: -104.246 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: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1034.830120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.830120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.830120 (E_RNA) where: Base-Base interactions energy: -674.902 where: short stacking energy: -288.266 Base-Backbone interact. energy: -2.557 local terms energy: -357.371102 where: bonds (distance) C4'-P energy: -76.078 bonds (distance) P-C4' energy: -72.651 flat angles C4'-P-C4' energy: -90.261 flat angles P-C4'-P energy: -43.647 tors. eta vs tors. theta energy: -74.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -945.413772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.413772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.413772 (E_RNA) where: Base-Base interactions energy: -615.218 where: short stacking energy: -276.305 Base-Backbone interact. energy: -1.536 local terms energy: -328.659270 where: bonds (distance) C4'-P energy: -64.358 bonds (distance) P-C4' energy: -72.719 flat angles C4'-P-C4' energy: -77.031 flat angles P-C4'-P energy: -52.893 tors. eta vs tors. theta energy: -61.658 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: 8, replica: 9 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -801.842963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.842963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.842963 (E_RNA) where: Base-Base interactions energy: -519.677 where: short stacking energy: -227.378 Base-Backbone interact. energy: 0.536 local terms energy: -282.701480 where: bonds (distance) C4'-P energy: -70.020 bonds (distance) P-C4' energy: -64.578 flat angles C4'-P-C4' energy: -52.298 flat angles P-C4'-P energy: -40.126 tors. eta vs tors. theta energy: -55.679 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: 5 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -465.577705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.577705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.577705 (E_RNA) where: Base-Base interactions energy: -241.643 where: short stacking energy: -135.568 Base-Backbone interact. energy: -1.602 local terms energy: -222.331963 where: bonds (distance) C4'-P energy: -54.004 bonds (distance) P-C4' energy: -69.916 flat angles C4'-P-C4' energy: -58.030 flat angles P-C4'-P energy: -38.024 tors. eta vs tors. theta energy: -2.357 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: 1 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -305.434212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.434212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.434212 (E_RNA) where: Base-Base interactions energy: -98.364 where: short stacking energy: -91.964 Base-Backbone interact. energy: 4.072 local terms energy: -211.142160 where: bonds (distance) C4'-P energy: -58.380 bonds (distance) P-C4' energy: -59.855 flat angles C4'-P-C4' energy: -57.846 flat angles P-C4'-P energy: -39.470 tors. eta vs tors. theta energy: 4.409 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: 4 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1381.960426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.960426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.960426 (E_RNA) where: Base-Base interactions energy: -947.823 where: short stacking energy: -421.175 Base-Backbone interact. energy: -2.833 local terms energy: -431.304629 where: bonds (distance) C4'-P energy: -76.460 bonds (distance) P-C4' energy: -82.238 flat angles C4'-P-C4' energy: -91.107 flat angles P-C4'-P energy: -60.127 tors. eta vs tors. theta energy: -121.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1334.812720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.812720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.812720 (E_RNA) where: Base-Base interactions energy: -906.222 where: short stacking energy: -388.572 Base-Backbone interact. energy: -0.892 local terms energy: -427.698656 where: bonds (distance) C4'-P energy: -75.485 bonds (distance) P-C4' energy: -86.985 flat angles C4'-P-C4' energy: -88.871 flat angles P-C4'-P energy: -61.085 tors. eta vs tors. theta energy: -115.273 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: 7 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1294.154535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.154535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.154535 (E_RNA) where: Base-Base interactions energy: -872.660 where: short stacking energy: -390.120 Base-Backbone interact. energy: -0.193 local terms energy: -421.301499 where: bonds (distance) C4'-P energy: -80.278 bonds (distance) P-C4' energy: -71.779 flat angles C4'-P-C4' energy: -87.163 flat angles P-C4'-P energy: -54.481 tors. eta vs tors. theta energy: -127.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1266.504101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.504101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.504101 (E_RNA) where: Base-Base interactions energy: -860.928 where: short stacking energy: -368.303 Base-Backbone interact. energy: 0.359 local terms energy: -405.934913 where: bonds (distance) C4'-P energy: -73.099 bonds (distance) P-C4' energy: -78.144 flat angles C4'-P-C4' energy: -90.451 flat angles P-C4'-P energy: -60.141 tors. eta vs tors. theta energy: -104.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1145.056972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.056972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.056972 (E_RNA) where: Base-Base interactions energy: -792.837 where: short stacking energy: -334.395 Base-Backbone interact. energy: -1.662 local terms energy: -350.558087 where: bonds (distance) C4'-P energy: -76.012 bonds (distance) P-C4' energy: -68.095 flat angles C4'-P-C4' energy: -72.796 flat angles P-C4'-P energy: -48.385 tors. eta vs tors. theta energy: -85.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1015.051073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.051073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.051073 (E_RNA) where: Base-Base interactions energy: -679.622 where: short stacking energy: -298.737 Base-Backbone interact. energy: -0.242 local terms energy: -335.187448 where: bonds (distance) C4'-P energy: -59.240 bonds (distance) P-C4' energy: -71.742 flat angles C4'-P-C4' energy: -63.643 flat angles P-C4'-P energy: -52.247 tors. eta vs tors. theta energy: -88.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -935.589106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.589106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.589106 (E_RNA) where: Base-Base interactions energy: -610.993 where: short stacking energy: -296.605 Base-Backbone interact. energy: -2.067 local terms energy: -322.529049 where: bonds (distance) C4'-P energy: -61.411 bonds (distance) P-C4' energy: -77.954 flat angles C4'-P-C4' energy: -68.721 flat angles P-C4'-P energy: -46.622 tors. eta vs tors. theta energy: -67.822 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: 9 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -759.510219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.510219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.510219 (E_RNA) where: Base-Base interactions energy: -474.870 where: short stacking energy: -215.404 Base-Backbone interact. energy: -1.588 local terms energy: -283.052208 where: bonds (distance) C4'-P energy: -58.754 bonds (distance) P-C4' energy: -75.941 flat angles C4'-P-C4' energy: -75.077 flat angles P-C4'-P energy: -39.721 tors. eta vs tors. theta energy: -33.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -440.112918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.112918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.112918 (E_RNA) where: Base-Base interactions energy: -206.235 where: short stacking energy: -136.950 Base-Backbone interact. energy: -1.156 local terms energy: -232.721906 where: bonds (distance) C4'-P energy: -58.303 bonds (distance) P-C4' energy: -73.752 flat angles C4'-P-C4' energy: -53.811 flat angles P-C4'-P energy: -34.671 tors. eta vs tors. theta energy: -12.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -323.597236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.597236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.597236 (E_RNA) where: Base-Base interactions energy: -106.557 where: short stacking energy: -64.815 Base-Backbone interact. energy: -0.414 local terms energy: -216.625702 where: bonds (distance) C4'-P energy: -57.676 bonds (distance) P-C4' energy: -76.360 flat angles C4'-P-C4' energy: -73.120 flat angles P-C4'-P energy: -22.933 tors. eta vs tors. theta energy: 13.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1390.294317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.294317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.294317 (E_RNA) where: Base-Base interactions energy: -950.979 where: short stacking energy: -400.880 Base-Backbone interact. energy: -2.535 local terms energy: -436.780470 where: bonds (distance) C4'-P energy: -80.810 bonds (distance) P-C4' energy: -79.726 flat angles C4'-P-C4' energy: -87.160 flat angles P-C4'-P energy: -55.121 tors. eta vs tors. theta energy: -133.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1335.375104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.375104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.375104 (E_RNA) where: Base-Base interactions energy: -915.540 where: short stacking energy: -400.310 Base-Backbone interact. energy: -1.911 local terms energy: -417.923927 where: bonds (distance) C4'-P energy: -81.484 bonds (distance) P-C4' energy: -70.952 flat angles C4'-P-C4' energy: -81.739 flat angles P-C4'-P energy: -65.652 tors. eta vs tors. theta energy: -118.098 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: 283 Temperature: 1.000000 Total energy: -1300.653365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.653365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.653365 (E_RNA) where: Base-Base interactions energy: -872.292 where: short stacking energy: -401.850 Base-Backbone interact. energy: -1.079 local terms energy: -427.282213 where: bonds (distance) C4'-P energy: -65.618 bonds (distance) P-C4' energy: -74.719 flat angles C4'-P-C4' energy: -88.817 flat angles P-C4'-P energy: -65.839 tors. eta vs tors. theta energy: -132.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1244.957737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.957737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.957737 (E_RNA) where: Base-Base interactions energy: -862.835 where: short stacking energy: -381.717 Base-Backbone interact. energy: 1.953 local terms energy: -384.076180 where: bonds (distance) C4'-P energy: -70.564 bonds (distance) P-C4' energy: -77.160 flat angles C4'-P-C4' energy: -82.023 flat angles P-C4'-P energy: -51.288 tors. eta vs tors. theta energy: -103.040 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: 2 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1150.822487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.822487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.822487 (E_RNA) where: Base-Base interactions energy: -792.316 where: short stacking energy: -342.153 Base-Backbone interact. energy: 0.755 local terms energy: -359.261688 where: bonds (distance) C4'-P energy: -73.826 bonds (distance) P-C4' energy: -61.792 flat angles C4'-P-C4' energy: -77.035 flat angles P-C4'-P energy: -48.829 tors. eta vs tors. theta energy: -97.780 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: 6, replica: 8 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -991.459596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.459596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.459596 (E_RNA) where: Base-Base interactions energy: -662.327 where: short stacking energy: -300.519 Base-Backbone interact. energy: -1.625 local terms energy: -327.507615 where: bonds (distance) C4'-P energy: -75.424 bonds (distance) P-C4' energy: -57.333 flat angles C4'-P-C4' energy: -71.895 flat angles P-C4'-P energy: -44.754 tors. eta vs tors. theta energy: -78.101 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: 10 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -899.118049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.118049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.118049 (E_RNA) where: Base-Base interactions energy: -587.106 where: short stacking energy: -262.164 Base-Backbone interact. energy: -0.441 local terms energy: -311.571109 where: bonds (distance) C4'-P energy: -70.761 bonds (distance) P-C4' energy: -70.932 flat angles C4'-P-C4' energy: -60.719 flat angles P-C4'-P energy: -57.078 tors. eta vs tors. theta energy: -52.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -735.030009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.030009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.030009 (E_RNA) where: Base-Base interactions energy: -464.985 where: short stacking energy: -216.244 Base-Backbone interact. energy: -0.326 local terms energy: -269.718196 where: bonds (distance) C4'-P energy: -64.620 bonds (distance) P-C4' energy: -64.849 flat angles C4'-P-C4' energy: -59.513 flat angles P-C4'-P energy: -39.318 tors. eta vs tors. theta energy: -41.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -411.303285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.303285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.303285 (E_RNA) where: Base-Base interactions energy: -195.042 where: short stacking energy: -116.254 Base-Backbone interact. energy: 3.278 local terms energy: -219.539706 where: bonds (distance) C4'-P energy: -64.607 bonds (distance) P-C4' energy: -67.454 flat angles C4'-P-C4' energy: -54.570 flat angles P-C4'-P energy: -41.185 tors. eta vs tors. theta energy: 8.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -316.404833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.404833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.404833 (E_RNA) where: Base-Base interactions energy: -105.528 where: short stacking energy: -100.104 Base-Backbone interact. energy: 0.271 local terms energy: -211.148050 where: bonds (distance) C4'-P energy: -62.550 bonds (distance) P-C4' energy: -70.396 flat angles C4'-P-C4' energy: -53.635 flat angles P-C4'-P energy: -32.416 tors. eta vs tors. theta energy: 7.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1403.558280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.558280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.558280 (E_RNA) where: Base-Base interactions energy: -944.167 where: short stacking energy: -422.065 Base-Backbone interact. energy: -1.389 local terms energy: -458.002069 where: bonds (distance) C4'-P energy: -85.953 bonds (distance) P-C4' energy: -85.831 flat angles C4'-P-C4' energy: -93.830 flat angles P-C4'-P energy: -59.213 tors. eta vs tors. theta energy: -133.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1350.612966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.612966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.612966 (E_RNA) where: Base-Base interactions energy: -928.308 where: short stacking energy: -403.849 Base-Backbone interact. energy: -2.976 local terms energy: -419.329010 where: bonds (distance) C4'-P energy: -72.628 bonds (distance) P-C4' energy: -75.024 flat angles C4'-P-C4' energy: -89.965 flat angles P-C4'-P energy: -62.647 tors. eta vs tors. theta energy: -119.065 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: 3, replica: 7 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1278.122207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.122207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.122207 (E_RNA) where: Base-Base interactions energy: -853.232 where: short stacking energy: -383.389 Base-Backbone interact. energy: -0.906 local terms energy: -423.984766 where: bonds (distance) C4'-P energy: -82.450 bonds (distance) P-C4' energy: -85.117 flat angles C4'-P-C4' energy: -81.137 flat angles P-C4'-P energy: -53.411 tors. eta vs tors. theta energy: -121.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1249.851285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.851285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.851285 (E_RNA) where: Base-Base interactions energy: -872.839 where: short stacking energy: -371.136 Base-Backbone interact. energy: -1.709 local terms energy: -375.303606 where: bonds (distance) C4'-P energy: -68.126 bonds (distance) P-C4' energy: -77.678 flat angles C4'-P-C4' energy: -84.203 flat angles P-C4'-P energy: -47.202 tors. eta vs tors. theta energy: -98.094 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: 5, replica: 2 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1181.213755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.213755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.213755 (E_RNA) where: Base-Base interactions energy: -816.932 where: short stacking energy: -333.332 Base-Backbone interact. energy: -0.395 local terms energy: -363.886445 where: bonds (distance) C4'-P energy: -68.251 bonds (distance) P-C4' energy: -70.441 flat angles C4'-P-C4' energy: -82.941 flat angles P-C4'-P energy: -51.359 tors. eta vs tors. theta energy: -90.895 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: 8 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -973.135163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.135163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.135163 (E_RNA) where: Base-Base interactions energy: -633.086 where: short stacking energy: -300.334 Base-Backbone interact. energy: -1.050 local terms energy: -338.999197 where: bonds (distance) C4'-P energy: -73.056 bonds (distance) P-C4' energy: -71.012 flat angles C4'-P-C4' energy: -78.523 flat angles P-C4'-P energy: -40.488 tors. eta vs tors. theta energy: -75.920 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: 10 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -891.764116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.764116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.764116 (E_RNA) where: Base-Base interactions energy: -575.864 where: short stacking energy: -268.145 Base-Backbone interact. energy: -1.141 local terms energy: -314.758953 where: bonds (distance) C4'-P energy: -63.127 bonds (distance) P-C4' energy: -83.453 flat angles C4'-P-C4' energy: -65.878 flat angles P-C4'-P energy: -45.379 tors. eta vs tors. theta energy: -56.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -684.056903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.056903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.056903 (E_RNA) where: Base-Base interactions energy: -403.572 where: short stacking energy: -208.470 Base-Backbone interact. energy: -2.405 local terms energy: -278.080362 where: bonds (distance) C4'-P energy: -79.701 bonds (distance) P-C4' energy: -59.727 flat angles C4'-P-C4' energy: -65.487 flat angles P-C4'-P energy: -47.292 tors. eta vs tors. theta energy: -25.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -394.169968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.169968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.169968 (E_RNA) where: Base-Base interactions energy: -174.643 where: short stacking energy: -117.583 Base-Backbone interact. energy: 1.893 local terms energy: -221.420162 where: bonds (distance) C4'-P energy: -68.089 bonds (distance) P-C4' energy: -79.171 flat angles C4'-P-C4' energy: -49.589 flat angles P-C4'-P energy: -24.595 tors. eta vs tors. theta energy: 0.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -317.977256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.977256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.977256 (E_RNA) where: Base-Base interactions energy: -121.016 where: short stacking energy: -108.085 Base-Backbone interact. energy: -0.118 local terms energy: -196.842743 where: bonds (distance) C4'-P energy: -63.958 bonds (distance) P-C4' energy: -54.361 flat angles C4'-P-C4' energy: -49.302 flat angles P-C4'-P energy: -34.250 tors. eta vs tors. theta energy: 5.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1414.972846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.972846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.972846 (E_RNA) where: Base-Base interactions energy: -978.935 where: short stacking energy: -432.478 Base-Backbone interact. energy: -1.606 local terms energy: -434.431540 where: bonds (distance) C4'-P energy: -74.514 bonds (distance) P-C4' energy: -80.164 flat angles C4'-P-C4' energy: -93.071 flat angles P-C4'-P energy: -53.943 tors. eta vs tors. theta energy: -132.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1343.535787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.535787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.535787 (E_RNA) where: Base-Base interactions energy: -927.206 where: short stacking energy: -385.417 Base-Backbone interact. energy: -2.502 local terms energy: -413.827902 where: bonds (distance) C4'-P energy: -79.887 bonds (distance) P-C4' energy: -79.131 flat angles C4'-P-C4' energy: -82.062 flat angles P-C4'-P energy: -61.391 tors. eta vs tors. theta energy: -111.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1324.153663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.153663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.153663 (E_RNA) where: Base-Base interactions energy: -888.915 where: short stacking energy: -409.640 Base-Backbone interact. energy: -1.636 local terms energy: -433.602775 where: bonds (distance) C4'-P energy: -81.377 bonds (distance) P-C4' energy: -76.674 flat angles C4'-P-C4' energy: -78.655 flat angles P-C4'-P energy: -67.098 tors. eta vs tors. theta energy: -129.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1239.291141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.291141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.291141 (E_RNA) where: Base-Base interactions energy: -853.361 where: short stacking energy: -349.457 Base-Backbone interact. energy: -2.108 local terms energy: -383.821889 where: bonds (distance) C4'-P energy: -73.722 bonds (distance) P-C4' energy: -81.069 flat angles C4'-P-C4' energy: -78.526 flat angles P-C4'-P energy: -43.264 tors. eta vs tors. theta energy: -107.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1216.543629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.543629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.543629 (E_RNA) where: Base-Base interactions energy: -836.689 where: short stacking energy: -354.664 Base-Backbone interact. energy: -0.491 local terms energy: -379.363761 where: bonds (distance) C4'-P energy: -64.658 bonds (distance) P-C4' energy: -77.745 flat angles C4'-P-C4' energy: -79.697 flat angles P-C4'-P energy: -51.661 tors. eta vs tors. theta energy: -105.603 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: 8 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -986.935218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.935218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.935218 (E_RNA) where: Base-Base interactions energy: -635.422 where: short stacking energy: -289.819 Base-Backbone interact. energy: 0.976 local terms energy: -352.489150 where: bonds (distance) C4'-P energy: -74.130 bonds (distance) P-C4' energy: -81.743 flat angles C4'-P-C4' energy: -78.067 flat angles P-C4'-P energy: -46.550 tors. eta vs tors. theta energy: -71.999 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: 10 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -940.797505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.797505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.797505 (E_RNA) where: Base-Base interactions energy: -637.582 where: short stacking energy: -283.320 Base-Backbone interact. energy: 0.515 local terms energy: -303.730071 where: bonds (distance) C4'-P energy: -76.534 bonds (distance) P-C4' energy: -62.377 flat angles C4'-P-C4' energy: -72.233 flat angles P-C4'-P energy: -44.101 tors. eta vs tors. theta energy: -48.486 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: 285 Temperature: 1.250000 Total energy: -697.276679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.276679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.276679 (E_RNA) where: Base-Base interactions energy: -439.224 where: short stacking energy: -198.918 Base-Backbone interact. energy: 1.138 local terms energy: -259.191241 where: bonds (distance) C4'-P energy: -71.417 bonds (distance) P-C4' energy: -58.084 flat angles C4'-P-C4' energy: -56.164 flat angles P-C4'-P energy: -42.932 tors. eta vs tors. theta energy: -30.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -393.436780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.436780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.436780 (E_RNA) where: Base-Base interactions energy: -172.670 where: short stacking energy: -126.033 Base-Backbone interact. energy: -1.100 local terms energy: -219.666388 where: bonds (distance) C4'-P energy: -65.500 bonds (distance) P-C4' energy: -77.771 flat angles C4'-P-C4' energy: -58.447 flat angles P-C4'-P energy: -24.052 tors. eta vs tors. theta energy: 6.104 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: 1 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -314.333667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.333667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.333667 (E_RNA) where: Base-Base interactions energy: -101.951 where: short stacking energy: -87.899 Base-Backbone interact. energy: 9.985 local terms energy: -222.367603 where: bonds (distance) C4'-P energy: -70.902 bonds (distance) P-C4' energy: -65.973 flat angles C4'-P-C4' energy: -50.435 flat angles P-C4'-P energy: -44.796 tors. eta vs tors. theta energy: 9.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1417.029246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.029246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.029246 (E_RNA) where: Base-Base interactions energy: -976.332 where: short stacking energy: -420.428 Base-Backbone interact. energy: -3.646 local terms energy: -437.050843 where: bonds (distance) C4'-P energy: -76.317 bonds (distance) P-C4' energy: -81.232 flat angles C4'-P-C4' energy: -91.077 flat angles P-C4'-P energy: -54.546 tors. eta vs tors. theta energy: -133.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1352.332700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.332700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.332700 (E_RNA) where: Base-Base interactions energy: -938.020 where: short stacking energy: -407.123 Base-Backbone interact. energy: -1.563 local terms energy: -412.749707 where: bonds (distance) C4'-P energy: -80.505 bonds (distance) P-C4' energy: -78.406 flat angles C4'-P-C4' energy: -88.109 flat angles P-C4'-P energy: -56.819 tors. eta vs tors. theta energy: -108.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1280.013531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.013531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.013531 (E_RNA) where: Base-Base interactions energy: -869.522 where: short stacking energy: -377.989 Base-Backbone interact. energy: 0.314 local terms energy: -410.804817 where: bonds (distance) C4'-P energy: -77.724 bonds (distance) P-C4' energy: -76.979 flat angles C4'-P-C4' energy: -89.107 flat angles P-C4'-P energy: -54.511 tors. eta vs tors. theta energy: -112.483 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: 7 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1273.447726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.447726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.447726 (E_RNA) where: Base-Base interactions energy: -849.140 where: short stacking energy: -393.628 Base-Backbone interact. energy: -0.184 local terms energy: -424.123979 where: bonds (distance) C4'-P energy: -83.542 bonds (distance) P-C4' energy: -72.628 flat angles C4'-P-C4' energy: -92.214 flat angles P-C4'-P energy: -53.498 tors. eta vs tors. theta energy: -122.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1192.153448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.153448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.153448 (E_RNA) where: Base-Base interactions energy: -809.086 where: short stacking energy: -343.364 Base-Backbone interact. energy: -1.607 local terms energy: -381.460744 where: bonds (distance) C4'-P energy: -82.141 bonds (distance) P-C4' energy: -67.935 flat angles C4'-P-C4' energy: -81.225 flat angles P-C4'-P energy: -48.752 tors. eta vs tors. theta energy: -101.408 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: 8 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1039.501011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.501011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.501011 (E_RNA) where: Base-Base interactions energy: -722.081 where: short stacking energy: -301.529 Base-Backbone interact. energy: 1.855 local terms energy: -319.275442 where: bonds (distance) C4'-P energy: -57.626 bonds (distance) P-C4' energy: -66.327 flat angles C4'-P-C4' energy: -66.825 flat angles P-C4'-P energy: -47.692 tors. eta vs tors. theta energy: -80.805 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: 10 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -948.766434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.766434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.766434 (E_RNA) where: Base-Base interactions energy: -656.047 where: short stacking energy: -276.450 Base-Backbone interact. energy: -0.374 local terms energy: -292.345508 where: bonds (distance) C4'-P energy: -65.117 bonds (distance) P-C4' energy: -55.278 flat angles C4'-P-C4' energy: -65.903 flat angles P-C4'-P energy: -46.406 tors. eta vs tors. theta energy: -59.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -694.740255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.740255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.740255 (E_RNA) where: Base-Base interactions energy: -417.214 where: short stacking energy: -224.090 Base-Backbone interact. energy: -1.665 local terms energy: -275.861880 where: bonds (distance) C4'-P energy: -65.052 bonds (distance) P-C4' energy: -65.403 flat angles C4'-P-C4' energy: -52.254 flat angles P-C4'-P energy: -38.494 tors. eta vs tors. theta energy: -54.659 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: 5 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -434.951150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.951150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.951150 (E_RNA) where: Base-Base interactions energy: -205.178 where: short stacking energy: -135.400 Base-Backbone interact. energy: -2.366 local terms energy: -227.407928 where: bonds (distance) C4'-P energy: -64.691 bonds (distance) P-C4' energy: -71.620 flat angles C4'-P-C4' energy: -52.210 flat angles P-C4'-P energy: -26.379 tors. eta vs tors. theta energy: -12.508 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: 1 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -325.105838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.105838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.105838 (E_RNA) where: Base-Base interactions energy: -111.237 where: short stacking energy: -85.020 Base-Backbone interact. energy: -0.231 local terms energy: -213.638482 where: bonds (distance) C4'-P energy: -67.505 bonds (distance) P-C4' energy: -76.347 flat angles C4'-P-C4' energy: -37.008 flat angles P-C4'-P energy: -35.035 tors. eta vs tors. theta energy: 2.257 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: 287 Temperature: 0.900000 Total energy: -1385.945300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.945300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.945300 (E_RNA) where: Base-Base interactions energy: -952.248 where: short stacking energy: -407.159 Base-Backbone interact. energy: -2.159 local terms energy: -431.538572 where: bonds (distance) C4'-P energy: -81.445 bonds (distance) P-C4' energy: -73.209 flat angles C4'-P-C4' energy: -93.150 flat angles P-C4'-P energy: -55.157 tors. eta vs tors. theta energy: -128.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1332.140146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.140146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.140146 (E_RNA) where: Base-Base interactions energy: -924.841 where: short stacking energy: -398.267 Base-Backbone interact. energy: -2.372 local terms energy: -404.927536 where: bonds (distance) C4'-P energy: -66.917 bonds (distance) P-C4' energy: -84.471 flat angles C4'-P-C4' energy: -89.904 flat angles P-C4'-P energy: -49.042 tors. eta vs tors. theta energy: -114.594 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: 6 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1290.615776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.615776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.615776 (E_RNA) where: Base-Base interactions energy: -879.742 where: short stacking energy: -382.492 Base-Backbone interact. energy: -2.998 local terms energy: -407.875981 where: bonds (distance) C4'-P energy: -73.477 bonds (distance) P-C4' energy: -82.158 flat angles C4'-P-C4' energy: -80.785 flat angles P-C4'-P energy: -56.868 tors. eta vs tors. theta energy: -114.589 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: 7 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1249.800527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.800527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.800527 (E_RNA) where: Base-Base interactions energy: -833.438 where: short stacking energy: -376.793 Base-Backbone interact. energy: -0.521 local terms energy: -415.841234 where: bonds (distance) C4'-P energy: -72.662 bonds (distance) P-C4' energy: -72.141 flat angles C4'-P-C4' energy: -92.181 flat angles P-C4'-P energy: -57.557 tors. eta vs tors. theta energy: -121.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1182.065474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.065474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.065474 (E_RNA) where: Base-Base interactions energy: -804.309 where: short stacking energy: -342.351 Base-Backbone interact. energy: -1.336 local terms energy: -376.420413 where: bonds (distance) C4'-P energy: -60.680 bonds (distance) P-C4' energy: -76.500 flat angles C4'-P-C4' energy: -87.675 flat angles P-C4'-P energy: -51.039 tors. eta vs tors. theta energy: -100.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1040.556416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.556416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.556416 (E_RNA) where: Base-Base interactions energy: -697.685 where: short stacking energy: -282.227 Base-Backbone interact. energy: -2.291 local terms energy: -340.580242 where: bonds (distance) C4'-P energy: -75.875 bonds (distance) P-C4' energy: -75.369 flat angles C4'-P-C4' energy: -70.419 flat angles P-C4'-P energy: -51.309 tors. eta vs tors. theta energy: -67.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -938.213997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.213997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.213997 (E_RNA) where: Base-Base interactions energy: -609.493 where: short stacking energy: -266.554 Base-Backbone interact. energy: -0.580 local terms energy: -328.140709 where: bonds (distance) C4'-P energy: -68.156 bonds (distance) P-C4' energy: -65.591 flat angles C4'-P-C4' energy: -78.609 flat angles P-C4'-P energy: -47.732 tors. eta vs tors. theta energy: -68.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -715.455048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.455048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.455048 (E_RNA) where: Base-Base interactions energy: -453.995 where: short stacking energy: -227.228 Base-Backbone interact. energy: -2.105 local terms energy: -259.355550 where: bonds (distance) C4'-P energy: -45.635 bonds (distance) P-C4' energy: -69.246 flat angles C4'-P-C4' energy: -71.272 flat angles P-C4'-P energy: -26.154 tors. eta vs tors. theta energy: -47.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -428.976008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.976008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.976008 (E_RNA) where: Base-Base interactions energy: -197.848 where: short stacking energy: -125.956 Base-Backbone interact. energy: -1.099 local terms energy: -230.028591 where: bonds (distance) C4'-P energy: -65.240 bonds (distance) P-C4' energy: -75.502 flat angles C4'-P-C4' energy: -57.610 flat angles P-C4'-P energy: -38.706 tors. eta vs tors. theta energy: 7.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -320.790543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.790543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.790543 (E_RNA) where: Base-Base interactions energy: -99.095 where: short stacking energy: -81.096 Base-Backbone interact. energy: -4.540 local terms energy: -217.154991 where: bonds (distance) C4'-P energy: -53.828 bonds (distance) P-C4' energy: -63.314 flat angles C4'-P-C4' energy: -65.381 flat angles P-C4'-P energy: -41.864 tors. eta vs tors. theta energy: 7.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1420.082904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.082904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.082904 (E_RNA) where: Base-Base interactions energy: -981.178 where: short stacking energy: -432.655 Base-Backbone interact. energy: -0.605 local terms energy: -438.299851 where: bonds (distance) C4'-P energy: -78.162 bonds (distance) P-C4' energy: -73.971 flat angles C4'-P-C4' energy: -95.947 flat angles P-C4'-P energy: -55.188 tors. eta vs tors. theta energy: -135.032 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: 2, replica: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1349.903741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.903741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.903741 (E_RNA) where: Base-Base interactions energy: -928.353 where: short stacking energy: -401.316 Base-Backbone interact. energy: -1.571 local terms energy: -419.979476 where: bonds (distance) C4'-P energy: -69.719 bonds (distance) P-C4' energy: -78.798 flat angles C4'-P-C4' energy: -86.120 flat angles P-C4'-P energy: -72.044 tors. eta vs tors. theta energy: -113.299 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: 3, replica: 7 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1252.753451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.753451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.753451 (E_RNA) where: Base-Base interactions energy: -857.056 where: short stacking energy: -390.447 Base-Backbone interact. energy: -0.848 local terms energy: -394.848677 where: bonds (distance) C4'-P energy: -76.965 bonds (distance) P-C4' energy: -66.802 flat angles C4'-P-C4' energy: -81.546 flat angles P-C4'-P energy: -53.638 tors. eta vs tors. theta energy: -115.898 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: 6 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1270.064221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.064221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.064221 (E_RNA) where: Base-Base interactions energy: -866.455 where: short stacking energy: -376.788 Base-Backbone interact. energy: -0.727 local terms energy: -402.882450 where: bonds (distance) C4'-P energy: -69.020 bonds (distance) P-C4' energy: -83.701 flat angles C4'-P-C4' energy: -81.063 flat angles P-C4'-P energy: -55.790 tors. eta vs tors. theta energy: -113.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1183.375054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.375054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.375054 (E_RNA) where: Base-Base interactions energy: -820.309 where: short stacking energy: -343.490 Base-Backbone interact. energy: -1.587 local terms energy: -361.479125 where: bonds (distance) C4'-P energy: -74.108 bonds (distance) P-C4' energy: -59.088 flat angles C4'-P-C4' energy: -90.258 flat angles P-C4'-P energy: -46.951 tors. eta vs tors. theta energy: -91.075 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: 8 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1019.789979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.789979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.789979 (E_RNA) where: Base-Base interactions energy: -685.907 where: short stacking energy: -299.296 Base-Backbone interact. energy: 2.473 local terms energy: -336.356477 where: bonds (distance) C4'-P energy: -77.277 bonds (distance) P-C4' energy: -61.830 flat angles C4'-P-C4' energy: -78.196 flat angles P-C4'-P energy: -37.650 tors. eta vs tors. theta energy: -81.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -914.755387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.755387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.755387 (E_RNA) where: Base-Base interactions energy: -597.131 where: short stacking energy: -257.378 Base-Backbone interact. energy: 3.644 local terms energy: -321.268940 where: bonds (distance) C4'-P energy: -72.897 bonds (distance) P-C4' energy: -77.105 flat angles C4'-P-C4' energy: -83.979 flat angles P-C4'-P energy: -40.876 tors. eta vs tors. theta energy: -46.412 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: 8, replica: 9 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -703.394422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.394422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.394422 (E_RNA) where: Base-Base interactions energy: -425.124 where: short stacking energy: -220.365 Base-Backbone interact. energy: -0.585 local terms energy: -277.684605 where: bonds (distance) C4'-P energy: -66.683 bonds (distance) P-C4' energy: -57.389 flat angles C4'-P-C4' energy: -72.082 flat angles P-C4'-P energy: -43.620 tors. eta vs tors. theta energy: -37.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -410.971778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.971778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.971778 (E_RNA) where: Base-Base interactions energy: -200.622 where: short stacking energy: -121.374 Base-Backbone interact. energy: 1.441 local terms energy: -211.791159 where: bonds (distance) C4'-P energy: -51.534 bonds (distance) P-C4' energy: -52.828 flat angles C4'-P-C4' energy: -56.626 flat angles P-C4'-P energy: -47.379 tors. eta vs tors. theta energy: -3.425 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: 1 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -348.687746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.687746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.687746 (E_RNA) where: Base-Base interactions energy: -125.864 where: short stacking energy: -96.659 Base-Backbone interact. energy: -2.007 local terms energy: -220.816940 where: bonds (distance) C4'-P energy: -71.200 bonds (distance) P-C4' energy: -72.240 flat angles C4'-P-C4' energy: -40.373 flat angles P-C4'-P energy: -45.055 tors. eta vs tors. theta energy: 8.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1406.007416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.007416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.007416 (E_RNA) where: Base-Base interactions energy: -973.228 where: short stacking energy: -426.282 Base-Backbone interact. energy: -2.213 local terms energy: -430.565689 where: bonds (distance) C4'-P energy: -66.246 bonds (distance) P-C4' energy: -86.369 flat angles C4'-P-C4' energy: -92.297 flat angles P-C4'-P energy: -52.802 tors. eta vs tors. theta energy: -132.852 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: 2, replica: 3 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1350.914401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.914401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.914401 (E_RNA) where: Base-Base interactions energy: -930.505 where: short stacking energy: -400.031 Base-Backbone interact. energy: -1.426 local terms energy: -418.983405 where: bonds (distance) C4'-P energy: -75.851 bonds (distance) P-C4' energy: -74.889 flat angles C4'-P-C4' energy: -85.188 flat angles P-C4'-P energy: -69.503 tors. eta vs tors. theta energy: -113.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1258.629516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.629516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.629516 (E_RNA) where: Base-Base interactions energy: -846.200 where: short stacking energy: -388.184 Base-Backbone interact. energy: -0.413 local terms energy: -412.016561 where: bonds (distance) C4'-P energy: -75.660 bonds (distance) P-C4' energy: -69.361 flat angles C4'-P-C4' energy: -92.042 flat angles P-C4'-P energy: -62.129 tors. eta vs tors. theta energy: -112.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1290.135535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.135535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.135535 (E_RNA) where: Base-Base interactions energy: -881.682 where: short stacking energy: -385.973 Base-Backbone interact. energy: -1.749 local terms energy: -406.704055 where: bonds (distance) C4'-P energy: -68.498 bonds (distance) P-C4' energy: -76.884 flat angles C4'-P-C4' energy: -90.523 flat angles P-C4'-P energy: -61.011 tors. eta vs tors. theta energy: -109.788 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: 5, replica: 2 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1167.772566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.772566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.772566 (E_RNA) where: Base-Base interactions energy: -784.529 where: short stacking energy: -344.086 Base-Backbone interact. energy: -0.470 local terms energy: -382.773396 where: bonds (distance) C4'-P energy: -70.831 bonds (distance) P-C4' energy: -77.606 flat angles C4'-P-C4' energy: -84.920 flat angles P-C4'-P energy: -44.784 tors. eta vs tors. theta energy: -104.632 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: 8 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1045.816665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.816665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.816665 (E_RNA) where: Base-Base interactions energy: -687.620 where: short stacking energy: -309.094 Base-Backbone interact. energy: 10.192 local terms energy: -368.388391 where: bonds (distance) C4'-P energy: -71.549 bonds (distance) P-C4' energy: -77.818 flat angles C4'-P-C4' energy: -79.179 flat angles P-C4'-P energy: -51.166 tors. eta vs tors. theta energy: -88.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -932.504651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.504651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.504651 (E_RNA) where: Base-Base interactions energy: -614.677 where: short stacking energy: -274.184 Base-Backbone interact. energy: -2.273 local terms energy: -315.554742 where: bonds (distance) C4'-P energy: -81.315 bonds (distance) P-C4' energy: -47.705 flat angles C4'-P-C4' energy: -75.125 flat angles P-C4'-P energy: -50.381 tors. eta vs tors. theta energy: -61.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -715.474007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.474007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.474007 (E_RNA) where: Base-Base interactions energy: -453.507 where: short stacking energy: -214.723 Base-Backbone interact. energy: 1.631 local terms energy: -263.597946 where: bonds (distance) C4'-P energy: -48.653 bonds (distance) P-C4' energy: -68.446 flat angles C4'-P-C4' energy: -71.304 flat angles P-C4'-P energy: -42.079 tors. eta vs tors. theta energy: -33.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -437.289402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.289402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.289402 (E_RNA) where: Base-Base interactions energy: -194.205 where: short stacking energy: -128.625 Base-Backbone interact. energy: -0.231 local terms energy: -242.853586 where: bonds (distance) C4'-P energy: -63.856 bonds (distance) P-C4' energy: -61.852 flat angles C4'-P-C4' energy: -79.032 flat angles P-C4'-P energy: -29.173 tors. eta vs tors. theta energy: -8.941 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: 10, replica: 1 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -319.617868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.617868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.617868 (E_RNA) where: Base-Base interactions energy: -125.360 where: short stacking energy: -83.819 Base-Backbone interact. energy: -0.141 local terms energy: -194.116809 where: bonds (distance) C4'-P energy: -63.393 bonds (distance) P-C4' energy: -76.671 flat angles C4'-P-C4' energy: -49.308 flat angles P-C4'-P energy: -27.224 tors. eta vs tors. theta energy: 22.480 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: 4 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1415.962565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.962565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.962565 (E_RNA) where: Base-Base interactions energy: -968.487 where: short stacking energy: -409.957 Base-Backbone interact. energy: -1.061 local terms energy: -446.414488 where: bonds (distance) C4'-P energy: -74.839 bonds (distance) P-C4' energy: -92.056 flat angles C4'-P-C4' energy: -93.412 flat angles P-C4'-P energy: -61.440 tors. eta vs tors. theta energy: -124.667 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: 2, replica: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1354.077774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.077774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.077774 (E_RNA) where: Base-Base interactions energy: -936.612 where: short stacking energy: -414.452 Base-Backbone interact. energy: -1.690 local terms energy: -415.775332 where: bonds (distance) C4'-P energy: -74.732 bonds (distance) P-C4' energy: -69.480 flat angles C4'-P-C4' energy: -85.672 flat angles P-C4'-P energy: -69.223 tors. eta vs tors. theta energy: -116.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1311.589305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.589305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.589305 (E_RNA) where: Base-Base interactions energy: -899.711 where: short stacking energy: -388.426 Base-Backbone interact. energy: -0.344 local terms energy: -411.534284 where: bonds (distance) C4'-P energy: -75.113 bonds (distance) P-C4' energy: -74.029 flat angles C4'-P-C4' energy: -91.456 flat angles P-C4'-P energy: -64.247 tors. eta vs tors. theta energy: -106.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1231.795560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.795560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.795560 (E_RNA) where: Base-Base interactions energy: -820.702 where: short stacking energy: -373.282 Base-Backbone interact. energy: -1.223 local terms energy: -409.870244 where: bonds (distance) C4'-P energy: -69.260 bonds (distance) P-C4' energy: -81.830 flat angles C4'-P-C4' energy: -81.896 flat angles P-C4'-P energy: -56.819 tors. eta vs tors. theta energy: -120.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1130.807569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.807569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.807569 (E_RNA) where: Base-Base interactions energy: -775.848 where: short stacking energy: -342.245 Base-Backbone interact. energy: -2.460 local terms energy: -352.499125 where: bonds (distance) C4'-P energy: -67.596 bonds (distance) P-C4' energy: -67.142 flat angles C4'-P-C4' energy: -76.695 flat angles P-C4'-P energy: -49.137 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: 6, replica: 8 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1038.293472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.293472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.293472 (E_RNA) where: Base-Base interactions energy: -683.074 where: short stacking energy: -309.935 Base-Backbone interact. energy: -0.688 local terms energy: -354.531173 where: bonds (distance) C4'-P energy: -64.113 bonds (distance) P-C4' energy: -66.062 flat angles C4'-P-C4' energy: -82.557 flat angles P-C4'-P energy: -54.606 tors. eta vs tors. theta energy: -87.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -959.058957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.058957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.058957 (E_RNA) where: Base-Base interactions energy: -644.731 where: short stacking energy: -278.106 Base-Backbone interact. energy: -1.062 local terms energy: -313.266340 where: bonds (distance) C4'-P energy: -70.251 bonds (distance) P-C4' energy: -49.268 flat angles C4'-P-C4' energy: -69.873 flat angles P-C4'-P energy: -48.639 tors. eta vs tors. theta energy: -75.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -701.902556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.902556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.902556 (E_RNA) where: Base-Base interactions energy: -440.699 where: short stacking energy: -221.262 Base-Backbone interact. energy: -1.841 local terms energy: -259.362463 where: bonds (distance) C4'-P energy: -67.054 bonds (distance) P-C4' energy: -63.423 flat angles C4'-P-C4' energy: -59.319 flat angles P-C4'-P energy: -26.066 tors. eta vs tors. theta energy: -43.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -439.921636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.921636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.921636 (E_RNA) where: Base-Base interactions energy: -223.287 where: short stacking energy: -147.615 Base-Backbone interact. energy: 0.969 local terms energy: -217.603161 where: bonds (distance) C4'-P energy: -59.089 bonds (distance) P-C4' energy: -61.908 flat angles C4'-P-C4' energy: -56.096 flat angles P-C4'-P energy: -34.971 tors. eta vs tors. theta energy: -5.539 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: 1 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -318.289480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.289480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.289480 (E_RNA) where: Base-Base interactions energy: -100.496 where: short stacking energy: -67.063 Base-Backbone interact. energy: 0.058 local terms energy: -217.851868 where: bonds (distance) C4'-P energy: -68.348 bonds (distance) P-C4' energy: -75.027 flat angles C4'-P-C4' energy: -56.115 flat angles P-C4'-P energy: -29.845 tors. eta vs tors. theta energy: 11.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1404.244692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.244692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.244692 (E_RNA) where: Base-Base interactions energy: -975.265 where: short stacking energy: -426.959 Base-Backbone interact. energy: -2.080 local terms energy: -426.899411 where: bonds (distance) C4'-P energy: -77.778 bonds (distance) P-C4' energy: -75.670 flat angles C4'-P-C4' energy: -92.302 flat angles P-C4'-P energy: -45.012 tors. eta vs tors. theta energy: -136.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1361.889477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.889477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.889477 (E_RNA) where: Base-Base interactions energy: -943.480 where: short stacking energy: -406.323 Base-Backbone interact. energy: -1.085 local terms energy: -417.324879 where: bonds (distance) C4'-P energy: -70.138 bonds (distance) P-C4' energy: -79.429 flat angles C4'-P-C4' energy: -88.151 flat angles P-C4'-P energy: -61.037 tors. eta vs tors. theta energy: -118.571 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: 6 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1320.269463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.269463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.269463 (E_RNA) where: Base-Base interactions energy: -923.058 where: short stacking energy: -374.260 Base-Backbone interact. energy: -0.797 local terms energy: -396.415069 where: bonds (distance) C4'-P energy: -72.503 bonds (distance) P-C4' energy: -78.175 flat angles C4'-P-C4' energy: -84.513 flat angles P-C4'-P energy: -56.555 tors. eta vs tors. theta energy: -104.669 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: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1205.388413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.388413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.388413 (E_RNA) where: Base-Base interactions energy: -831.647 where: short stacking energy: -353.205 Base-Backbone interact. energy: 0.649 local terms energy: -374.391205 where: bonds (distance) C4'-P energy: -77.829 bonds (distance) P-C4' energy: -65.169 flat angles C4'-P-C4' energy: -85.446 flat angles P-C4'-P energy: -41.217 tors. eta vs tors. theta energy: -104.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1202.610643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.610643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.610643 (E_RNA) where: Base-Base interactions energy: -812.320 where: short stacking energy: -371.096 Base-Backbone interact. energy: 0.886 local terms energy: -391.176307 where: bonds (distance) C4'-P energy: -75.064 bonds (distance) P-C4' energy: -69.606 flat angles C4'-P-C4' energy: -81.500 flat angles P-C4'-P energy: -58.391 tors. eta vs tors. theta energy: -106.616 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: 8 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1044.854958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.854958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.854958 (E_RNA) where: Base-Base interactions energy: -687.274 where: short stacking energy: -316.507 Base-Backbone interact. energy: -0.776 local terms energy: -356.804923 where: bonds (distance) C4'-P energy: -67.875 bonds (distance) P-C4' energy: -70.304 flat angles C4'-P-C4' energy: -72.983 flat angles P-C4'-P energy: -58.970 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: 7, replica: 10 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -942.830330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.830330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.830330 (E_RNA) where: Base-Base interactions energy: -625.001 where: short stacking energy: -301.033 Base-Backbone interact. energy: -0.642 local terms energy: -317.187534 where: bonds (distance) C4'-P energy: -47.411 bonds (distance) P-C4' energy: -61.841 flat angles C4'-P-C4' energy: -76.124 flat angles P-C4'-P energy: -54.026 tors. eta vs tors. theta energy: -77.786 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: 8, replica: 5 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -444.021689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.021689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.021689 (E_RNA) where: Base-Base interactions energy: -206.092 where: short stacking energy: -124.462 Base-Backbone interact. energy: -1.723 local terms energy: -236.206880 where: bonds (distance) C4'-P energy: -64.754 bonds (distance) P-C4' energy: -61.362 flat angles C4'-P-C4' energy: -66.050 flat angles P-C4'-P energy: -31.271 tors. eta vs tors. theta energy: -12.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -616.132584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.132584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.132584 (E_RNA) where: Base-Base interactions energy: -349.065 where: short stacking energy: -180.743 Base-Backbone interact. energy: -2.393 local terms energy: -264.675035 where: bonds (distance) C4'-P energy: -53.373 bonds (distance) P-C4' energy: -78.067 flat angles C4'-P-C4' energy: -48.527 flat angles P-C4'-P energy: -46.347 tors. eta vs tors. theta energy: -38.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -327.931783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.931783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.931783 (E_RNA) where: Base-Base interactions energy: -125.205 where: short stacking energy: -102.538 Base-Backbone interact. energy: 0.327 local terms energy: -203.054508 where: bonds (distance) C4'-P energy: -63.247 bonds (distance) P-C4' energy: -67.757 flat angles C4'-P-C4' energy: -50.571 flat angles P-C4'-P energy: -31.216 tors. eta vs tors. theta energy: 9.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1397.510702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.510702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.510702 (E_RNA) where: Base-Base interactions energy: -959.359 where: short stacking energy: -427.110 Base-Backbone interact. energy: -1.301 local terms energy: -436.850629 where: bonds (distance) C4'-P energy: -76.979 bonds (distance) P-C4' energy: -79.987 flat angles C4'-P-C4' energy: -88.019 flat angles P-C4'-P energy: -61.186 tors. eta vs tors. theta energy: -130.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1345.378001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.378001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.378001 (E_RNA) where: Base-Base interactions energy: -931.663 where: short stacking energy: -403.714 Base-Backbone interact. energy: -0.672 local terms energy: -413.042958 where: bonds (distance) C4'-P energy: -77.473 bonds (distance) P-C4' energy: -70.890 flat angles C4'-P-C4' energy: -89.678 flat angles P-C4'-P energy: -58.561 tors. eta vs tors. theta energy: -116.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1258.175460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.175460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.175460 (E_RNA) where: Base-Base interactions energy: -866.948 where: short stacking energy: -362.779 Base-Backbone interact. energy: -1.413 local terms energy: -389.814993 where: bonds (distance) C4'-P energy: -75.038 bonds (distance) P-C4' energy: -82.627 flat angles C4'-P-C4' energy: -77.181 flat angles P-C4'-P energy: -55.326 tors. eta vs tors. theta energy: -99.643 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: 292 Temperature: 1.050000 Total energy: -1267.478389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.478389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.478389 (E_RNA) where: Base-Base interactions energy: -903.497 where: short stacking energy: -385.996 Base-Backbone interact. energy: -3.566 local terms energy: -360.415267 where: bonds (distance) C4'-P energy: -57.380 bonds (distance) P-C4' energy: -68.143 flat angles C4'-P-C4' energy: -84.300 flat angles P-C4'-P energy: -44.068 tors. eta vs tors. theta energy: -106.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1182.051679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.051679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.051679 (E_RNA) where: Base-Base interactions energy: -795.294 where: short stacking energy: -350.035 Base-Backbone interact. energy: -1.242 local terms energy: -385.516191 where: bonds (distance) C4'-P energy: -71.856 bonds (distance) P-C4' energy: -78.411 flat angles C4'-P-C4' energy: -83.573 flat angles P-C4'-P energy: -41.168 tors. eta vs tors. theta energy: -110.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1051.760724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.760724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.760724 (E_RNA) where: Base-Base interactions energy: -723.032 where: short stacking energy: -298.201 Base-Backbone interact. energy: -0.168 local terms energy: -328.561004 where: bonds (distance) C4'-P energy: -51.687 bonds (distance) P-C4' energy: -69.197 flat angles C4'-P-C4' energy: -76.201 flat angles P-C4'-P energy: -54.433 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: 7, replica: 10 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -963.607300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.607300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.607300 (E_RNA) where: Base-Base interactions energy: -627.363 where: short stacking energy: -291.382 Base-Backbone interact. energy: -0.021 local terms energy: -336.222739 where: bonds (distance) C4'-P energy: -63.985 bonds (distance) P-C4' energy: -65.540 flat angles C4'-P-C4' energy: -80.094 flat angles P-C4'-P energy: -46.416 tors. eta vs tors. theta energy: -80.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -432.736907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.736907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.736907 (E_RNA) where: Base-Base interactions energy: -213.262 where: short stacking energy: -137.823 Base-Backbone interact. energy: 0.497 local terms energy: -219.971484 where: bonds (distance) C4'-P energy: -58.554 bonds (distance) P-C4' energy: -69.924 flat angles C4'-P-C4' energy: -56.861 flat angles P-C4'-P energy: -33.697 tors. eta vs tors. theta energy: -0.936 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: 292 Temperature: 1.300000 Total energy: -537.083486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.083486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.083486 (E_RNA) where: Base-Base interactions energy: -323.856 where: short stacking energy: -167.368 Base-Backbone interact. energy: 0.283 local terms energy: -213.510643 where: bonds (distance) C4'-P energy: -68.075 bonds (distance) P-C4' energy: -57.697 flat angles C4'-P-C4' energy: -43.776 flat angles P-C4'-P energy: -34.006 tors. eta vs tors. theta energy: -9.956 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: 1 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -318.146492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.146492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.146492 (E_RNA) where: Base-Base interactions energy: -93.356 where: short stacking energy: -74.975 Base-Backbone interact. energy: -0.631 local terms energy: -224.159451 where: bonds (distance) C4'-P energy: -58.182 bonds (distance) P-C4' energy: -76.724 flat angles C4'-P-C4' energy: -47.673 flat angles P-C4'-P energy: -49.443 tors. eta vs tors. theta energy: 7.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1390.699502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.699502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.699502 (E_RNA) where: Base-Base interactions energy: -966.206 where: short stacking energy: -404.038 Base-Backbone interact. energy: -1.228 local terms energy: -423.265144 where: bonds (distance) C4'-P energy: -75.902 bonds (distance) P-C4' energy: -75.682 flat angles C4'-P-C4' energy: -96.313 flat angles P-C4'-P energy: -59.545 tors. eta vs tors. theta energy: -115.824 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: 3 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1355.128073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.128073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.128073 (E_RNA) where: Base-Base interactions energy: -911.734 where: short stacking energy: -396.594 Base-Backbone interact. energy: -1.315 local terms energy: -442.079287 where: bonds (distance) C4'-P energy: -78.641 bonds (distance) P-C4' energy: -84.972 flat angles C4'-P-C4' energy: -94.309 flat angles P-C4'-P energy: -66.012 tors. eta vs tors. theta energy: -118.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1221.211318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.211318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.211318 (E_RNA) where: Base-Base interactions energy: -851.994 where: short stacking energy: -369.412 Base-Backbone interact. energy: -1.166 local terms energy: -368.051406 where: bonds (distance) C4'-P energy: -62.926 bonds (distance) P-C4' energy: -68.397 flat angles C4'-P-C4' energy: -81.362 flat angles P-C4'-P energy: -48.441 tors. eta vs tors. theta energy: -106.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1229.982848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.982848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.982848 (E_RNA) where: Base-Base interactions energy: -845.109 where: short stacking energy: -367.153 Base-Backbone interact. energy: -1.352 local terms energy: -383.521872 where: bonds (distance) C4'-P energy: -66.603 bonds (distance) P-C4' energy: -75.264 flat angles C4'-P-C4' energy: -91.742 flat angles P-C4'-P energy: -49.745 tors. eta vs tors. theta energy: -100.168 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: 7 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1210.465569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.465569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.465569 (E_RNA) where: Base-Base interactions energy: -813.656 where: short stacking energy: -351.405 Base-Backbone interact. energy: -2.587 local terms energy: -394.222636 where: bonds (distance) C4'-P energy: -64.179 bonds (distance) P-C4' energy: -78.525 flat angles C4'-P-C4' energy: -77.663 flat angles P-C4'-P energy: -58.178 tors. eta vs tors. theta energy: -115.677 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: 8 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1050.637350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.637350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.637350 (E_RNA) where: Base-Base interactions energy: -707.483 where: short stacking energy: -331.140 Base-Backbone interact. energy: -3.048 local terms energy: -340.106663 where: bonds (distance) C4'-P energy: -66.865 bonds (distance) P-C4' energy: -65.915 flat angles C4'-P-C4' energy: -73.332 flat angles P-C4'-P energy: -46.806 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: 7, replica: 10 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -941.850376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.850376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.850376 (E_RNA) where: Base-Base interactions energy: -638.730 where: short stacking energy: -276.009 Base-Backbone interact. energy: -1.843 local terms energy: -301.276610 where: bonds (distance) C4'-P energy: -63.730 bonds (distance) P-C4' energy: -62.161 flat angles C4'-P-C4' energy: -64.246 flat angles P-C4'-P energy: -42.831 tors. eta vs tors. theta energy: -68.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -553.744447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.744447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.744447 (E_RNA) where: Base-Base interactions energy: -295.147 where: short stacking energy: -150.219 Base-Backbone interact. energy: 4.087 local terms energy: -262.684815 where: bonds (distance) C4'-P energy: -73.884 bonds (distance) P-C4' energy: -80.463 flat angles C4'-P-C4' energy: -49.707 flat angles P-C4'-P energy: -46.736 tors. eta vs tors. theta energy: -11.895 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: 5 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -411.368613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.368613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.368613 (E_RNA) where: Base-Base interactions energy: -180.984 where: short stacking energy: -102.127 Base-Backbone interact. energy: -2.648 local terms energy: -227.736601 where: bonds (distance) C4'-P energy: -68.713 bonds (distance) P-C4' energy: -75.810 flat angles C4'-P-C4' energy: -59.361 flat angles P-C4'-P energy: -22.517 tors. eta vs tors. theta energy: -1.335 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: 1 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -328.525451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.525451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.525451 (E_RNA) where: Base-Base interactions energy: -117.394 where: short stacking energy: -110.535 Base-Backbone interact. energy: -1.235 local terms energy: -209.896793 where: bonds (distance) C4'-P energy: -70.095 bonds (distance) P-C4' energy: -66.994 flat angles C4'-P-C4' energy: -50.857 flat angles P-C4'-P energy: -31.874 tors. eta vs tors. theta energy: 9.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1380.511087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.511087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.511087 (E_RNA) where: Base-Base interactions energy: -942.897 where: short stacking energy: -420.134 Base-Backbone interact. energy: -0.541 local terms energy: -437.073763 where: bonds (distance) C4'-P energy: -82.281 bonds (distance) P-C4' energy: -77.281 flat angles C4'-P-C4' energy: -89.462 flat angles P-C4'-P energy: -62.223 tors. eta vs tors. theta energy: -125.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1364.926179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.926179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.926179 (E_RNA) where: Base-Base interactions energy: -940.672 where: short stacking energy: -410.684 Base-Backbone interact. energy: -0.814 local terms energy: -423.439469 where: bonds (distance) C4'-P energy: -79.487 bonds (distance) P-C4' energy: -71.496 flat angles C4'-P-C4' energy: -92.886 flat angles P-C4'-P energy: -50.683 tors. eta vs tors. theta energy: -128.887 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: 6 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1277.603692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.603692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.603692 (E_RNA) where: Base-Base interactions energy: -887.254 where: short stacking energy: -362.021 Base-Backbone interact. energy: -0.310 local terms energy: -390.039907 where: bonds (distance) C4'-P energy: -73.769 bonds (distance) P-C4' energy: -78.124 flat angles C4'-P-C4' energy: -80.811 flat angles P-C4'-P energy: -62.520 tors. eta vs tors. theta energy: -94.816 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: 2 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1196.238646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.238646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.238646 (E_RNA) where: Base-Base interactions energy: -813.340 where: short stacking energy: -346.867 Base-Backbone interact. energy: -3.390 local terms energy: -379.508552 where: bonds (distance) C4'-P energy: -77.380 bonds (distance) P-C4' energy: -78.935 flat angles C4'-P-C4' energy: -75.437 flat angles P-C4'-P energy: -46.152 tors. eta vs tors. theta energy: -101.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1248.732471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.732471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.732471 (E_RNA) where: Base-Base interactions energy: -851.281 where: short stacking energy: -388.646 Base-Backbone interact. energy: -0.466 local terms energy: -396.985078 where: bonds (distance) C4'-P energy: -64.030 bonds (distance) P-C4' energy: -74.734 flat angles C4'-P-C4' energy: -83.619 flat angles P-C4'-P energy: -49.602 tors. eta vs tors. theta energy: -125.000 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: 8 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1058.608879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.608879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.608879 (E_RNA) where: Base-Base interactions energy: -705.168 where: short stacking energy: -292.847 Base-Backbone interact. energy: -1.671 local terms energy: -351.770037 where: bonds (distance) C4'-P energy: -66.463 bonds (distance) P-C4' energy: -67.354 flat angles C4'-P-C4' energy: -83.542 flat angles P-C4'-P energy: -52.401 tors. eta vs tors. theta energy: -82.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -969.914861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.914861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.914861 (E_RNA) where: Base-Base interactions energy: -634.137 where: short stacking energy: -291.745 Base-Backbone interact. energy: -2.138 local terms energy: -333.640023 where: bonds (distance) C4'-P energy: -58.911 bonds (distance) P-C4' energy: -75.673 flat angles C4'-P-C4' energy: -71.941 flat angles P-C4'-P energy: -45.871 tors. eta vs tors. theta energy: -81.243 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: 9 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -659.305016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.305016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.305016 (E_RNA) where: Base-Base interactions energy: -392.242 where: short stacking energy: -199.582 Base-Backbone interact. energy: 0.948 local terms energy: -268.010120 where: bonds (distance) C4'-P energy: -67.895 bonds (distance) P-C4' energy: -71.041 flat angles C4'-P-C4' energy: -63.546 flat angles P-C4'-P energy: -31.911 tors. eta vs tors. theta energy: -33.618 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: 1 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -378.061173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.061173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.061173 (E_RNA) where: Base-Base interactions energy: -178.951 where: short stacking energy: -154.253 Base-Backbone interact. energy: 2.655 local terms energy: -201.765354 where: bonds (distance) C4'-P energy: -54.311 bonds (distance) P-C4' energy: -65.023 flat angles C4'-P-C4' energy: -65.526 flat angles P-C4'-P energy: -24.013 tors. eta vs tors. theta energy: 7.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -363.104157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.104157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.104157 (E_RNA) where: Base-Base interactions energy: -164.494 where: short stacking energy: -94.178 Base-Backbone interact. energy: 4.332 local terms energy: -202.942172 where: bonds (distance) C4'-P energy: -56.234 bonds (distance) P-C4' energy: -68.901 flat angles C4'-P-C4' energy: -67.732 flat angles P-C4'-P energy: -26.485 tors. eta vs tors. theta energy: 16.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1353.802313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.802313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.802313 (E_RNA) where: Base-Base interactions energy: -943.312 where: short stacking energy: -407.162 Base-Backbone interact. energy: -0.610 local terms energy: -409.880420 where: bonds (distance) C4'-P energy: -67.552 bonds (distance) P-C4' energy: -79.625 flat angles C4'-P-C4' energy: -81.374 flat angles P-C4'-P energy: -64.768 tors. eta vs tors. theta energy: -116.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1376.425052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.425052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.425052 (E_RNA) where: Base-Base interactions energy: -957.764 where: short stacking energy: -405.639 Base-Backbone interact. energy: -2.023 local terms energy: -416.638391 where: bonds (distance) C4'-P energy: -78.691 bonds (distance) P-C4' energy: -75.081 flat angles C4'-P-C4' energy: -90.871 flat angles P-C4'-P energy: -46.280 tors. eta vs tors. theta energy: -125.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1274.324117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.324117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.324117 (E_RNA) where: Base-Base interactions energy: -873.704 where: short stacking energy: -383.177 Base-Backbone interact. energy: -4.211 local terms energy: -396.409254 where: bonds (distance) C4'-P energy: -69.031 bonds (distance) P-C4' energy: -70.544 flat angles C4'-P-C4' energy: -88.918 flat angles P-C4'-P energy: -57.991 tors. eta vs tors. theta energy: -109.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1220.886828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.886828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.886828 (E_RNA) where: Base-Base interactions energy: -843.532 where: short stacking energy: -353.002 Base-Backbone interact. energy: -1.939 local terms energy: -375.416542 where: bonds (distance) C4'-P energy: -78.789 bonds (distance) P-C4' energy: -61.054 flat angles C4'-P-C4' energy: -87.436 flat angles P-C4'-P energy: -50.211 tors. eta vs tors. theta energy: -97.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1190.612370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.612370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.612370 (E_RNA) where: Base-Base interactions energy: -816.311 where: short stacking energy: -367.251 Base-Backbone interact. energy: -1.528 local terms energy: -372.773543 where: bonds (distance) C4'-P energy: -68.387 bonds (distance) P-C4' energy: -61.544 flat angles C4'-P-C4' energy: -84.668 flat angles P-C4'-P energy: -44.715 tors. eta vs tors. theta energy: -113.460 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: 6, replica: 10 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1021.652421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.652421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.652421 (E_RNA) where: Base-Base interactions energy: -673.307 where: short stacking energy: -301.288 Base-Backbone interact. energy: -1.204 local terms energy: -347.141969 where: bonds (distance) C4'-P energy: -68.382 bonds (distance) P-C4' energy: -75.380 flat angles C4'-P-C4' energy: -81.691 flat angles P-C4'-P energy: -50.225 tors. eta vs tors. theta energy: -71.463 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: 8 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -991.857639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.857639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.857639 (E_RNA) where: Base-Base interactions energy: -657.847 where: short stacking energy: -293.074 Base-Backbone interact. energy: -0.741 local terms energy: -333.269074 where: bonds (distance) C4'-P energy: -77.724 bonds (distance) P-C4' energy: -62.637 flat angles C4'-P-C4' energy: -71.223 flat angles P-C4'-P energy: -54.588 tors. eta vs tors. theta energy: -67.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -662.268317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.268317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.268317 (E_RNA) where: Base-Base interactions energy: -408.261 where: short stacking energy: -201.733 Base-Backbone interact. energy: 9.177 local terms energy: -263.184033 where: bonds (distance) C4'-P energy: -59.494 bonds (distance) P-C4' energy: -52.491 flat angles C4'-P-C4' energy: -64.813 flat angles P-C4'-P energy: -45.596 tors. eta vs tors. theta energy: -40.791 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: 1 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -412.550937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.550937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.550937 (E_RNA) where: Base-Base interactions energy: -192.643 where: short stacking energy: -132.438 Base-Backbone interact. energy: -0.239 local terms energy: -219.669074 where: bonds (distance) C4'-P energy: -51.833 bonds (distance) P-C4' energy: -63.619 flat angles C4'-P-C4' energy: -59.999 flat angles P-C4'-P energy: -33.671 tors. eta vs tors. theta energy: -10.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -331.113624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.113624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.113624 (E_RNA) where: Base-Base interactions energy: -119.389 where: short stacking energy: -76.172 Base-Backbone interact. energy: -2.141 local terms energy: -209.583259 where: bonds (distance) C4'-P energy: -68.386 bonds (distance) P-C4' energy: -64.272 flat angles C4'-P-C4' energy: -61.288 flat angles P-C4'-P energy: -34.994 tors. eta vs tors. theta energy: 19.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1391.870702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.870702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.870702 (E_RNA) where: Base-Base interactions energy: -956.865 where: short stacking energy: -425.541 Base-Backbone interact. energy: -1.341 local terms energy: -433.664537 where: bonds (distance) C4'-P energy: -77.330 bonds (distance) P-C4' energy: -80.600 flat angles C4'-P-C4' energy: -92.259 flat angles P-C4'-P energy: -53.787 tors. eta vs tors. theta energy: -129.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1381.909249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.909249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.909249 (E_RNA) where: Base-Base interactions energy: -954.800 where: short stacking energy: -403.223 Base-Backbone interact. energy: -1.551 local terms energy: -425.557962 where: bonds (distance) C4'-P energy: -72.618 bonds (distance) P-C4' energy: -86.197 flat angles C4'-P-C4' energy: -87.153 flat angles P-C4'-P energy: -56.432 tors. eta vs tors. theta energy: -123.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1277.354293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.354293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.354293 (E_RNA) where: Base-Base interactions energy: -883.674 where: short stacking energy: -359.475 Base-Backbone interact. energy: -1.808 local terms energy: -391.872971 where: bonds (distance) C4'-P energy: -70.036 bonds (distance) P-C4' energy: -78.392 flat angles C4'-P-C4' energy: -78.897 flat angles P-C4'-P energy: -53.313 tors. eta vs tors. theta energy: -111.235 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: 4, replica: 6 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1242.706078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.706078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.706078 (E_RNA) where: Base-Base interactions energy: -857.287 where: short stacking energy: -358.120 Base-Backbone interact. energy: -0.194 local terms energy: -385.225194 where: bonds (distance) C4'-P energy: -71.369 bonds (distance) P-C4' energy: -70.421 flat angles C4'-P-C4' energy: -88.085 flat angles P-C4'-P energy: -52.847 tors. eta vs tors. theta energy: -102.503 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: 7 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1234.972266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.972266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.972266 (E_RNA) where: Base-Base interactions energy: -830.735 where: short stacking energy: -394.073 Base-Backbone interact. energy: -0.130 local terms energy: -404.107049 where: bonds (distance) C4'-P energy: -71.771 bonds (distance) P-C4' energy: -63.943 flat angles C4'-P-C4' energy: -84.497 flat angles P-C4'-P energy: -63.695 tors. eta vs tors. theta energy: -120.201 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: 10 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1077.345857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.345857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.345857 (E_RNA) where: Base-Base interactions energy: -756.205 where: short stacking energy: -311.031 Base-Backbone interact. energy: 0.555 local terms energy: -321.695656 where: bonds (distance) C4'-P energy: -60.476 bonds (distance) P-C4' energy: -48.069 flat angles C4'-P-C4' energy: -74.660 flat angles P-C4'-P energy: -50.692 tors. eta vs tors. theta energy: -87.799 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: 7, replica: 8 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -942.835556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.835556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.835556 (E_RNA) where: Base-Base interactions energy: -637.395 where: short stacking energy: -259.643 Base-Backbone interact. energy: -1.912 local terms energy: -303.527992 where: bonds (distance) C4'-P energy: -63.982 bonds (distance) P-C4' energy: -68.268 flat angles C4'-P-C4' energy: -70.401 flat angles P-C4'-P energy: -45.992 tors. eta vs tors. theta energy: -54.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -656.851737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.851737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.851737 (E_RNA) where: Base-Base interactions energy: -394.849 where: short stacking energy: -197.980 Base-Backbone interact. energy: 1.796 local terms energy: -263.798574 where: bonds (distance) C4'-P energy: -61.842 bonds (distance) P-C4' energy: -68.193 flat angles C4'-P-C4' energy: -58.342 flat angles P-C4'-P energy: -39.481 tors. eta vs tors. theta energy: -35.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -380.441880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.441880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.441880 (E_RNA) where: Base-Base interactions energy: -167.849 where: short stacking energy: -114.736 Base-Backbone interact. energy: -1.342 local terms energy: -211.251217 where: bonds (distance) C4'-P energy: -55.099 bonds (distance) P-C4' energy: -64.834 flat angles C4'-P-C4' energy: -57.979 flat angles P-C4'-P energy: -38.702 tors. eta vs tors. theta energy: 5.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -323.752136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.752136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.752136 (E_RNA) where: Base-Base interactions energy: -107.296 where: short stacking energy: -88.235 Base-Backbone interact. energy: -1.944 local terms energy: -214.511607 where: bonds (distance) C4'-P energy: -60.956 bonds (distance) P-C4' energy: -69.664 flat angles C4'-P-C4' energy: -45.132 flat angles P-C4'-P energy: -42.654 tors. eta vs tors. theta energy: 3.894 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: 297 Temperature: 0.900000 Total energy: -1382.580966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.580966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.580966 (E_RNA) where: Base-Base interactions energy: -961.053 where: short stacking energy: -419.777 Base-Backbone interact. energy: -0.877 local terms energy: -420.651159 where: bonds (distance) C4'-P energy: -71.763 bonds (distance) P-C4' energy: -68.344 flat angles C4'-P-C4' energy: -91.193 flat angles P-C4'-P energy: -61.374 tors. eta vs tors. theta energy: -127.979 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: 3 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1365.106557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.106557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.106557 (E_RNA) where: Base-Base interactions energy: -937.671 where: short stacking energy: -402.021 Base-Backbone interact. energy: 0.787 local terms energy: -428.222632 where: bonds (distance) C4'-P energy: -75.917 bonds (distance) P-C4' energy: -78.582 flat angles C4'-P-C4' energy: -91.155 flat angles P-C4'-P energy: -62.518 tors. eta vs tors. theta energy: -120.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1289.868305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.868305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.868305 (E_RNA) where: Base-Base interactions energy: -894.665 where: short stacking energy: -375.343 Base-Backbone interact. energy: -2.072 local terms energy: -393.132194 where: bonds (distance) C4'-P energy: -64.749 bonds (distance) P-C4' energy: -78.047 flat angles C4'-P-C4' energy: -85.320 flat angles P-C4'-P energy: -55.396 tors. eta vs tors. theta energy: -109.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1251.029371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.029371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.029371 (E_RNA) where: Base-Base interactions energy: -857.463 where: short stacking energy: -391.069 Base-Backbone interact. energy: 1.760 local terms energy: -395.326012 where: bonds (distance) C4'-P energy: -69.144 bonds (distance) P-C4' energy: -67.605 flat angles C4'-P-C4' energy: -80.960 flat angles P-C4'-P energy: -54.853 tors. eta vs tors. theta energy: -122.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1239.970793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.970793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.970793 (E_RNA) where: Base-Base interactions energy: -838.233 where: short stacking energy: -383.965 Base-Backbone interact. energy: -2.008 local terms energy: -399.730129 where: bonds (distance) C4'-P energy: -79.905 bonds (distance) P-C4' energy: -77.839 flat angles C4'-P-C4' energy: -81.259 flat angles P-C4'-P energy: -59.997 tors. eta vs tors. theta energy: -100.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1088.486902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.486902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.486902 (E_RNA) where: Base-Base interactions energy: -738.659 where: short stacking energy: -318.470 Base-Backbone interact. energy: -1.255 local terms energy: -348.573299 where: bonds (distance) C4'-P energy: -65.257 bonds (distance) P-C4' energy: -67.427 flat angles C4'-P-C4' energy: -86.694 flat angles P-C4'-P energy: -45.754 tors. eta vs tors. theta energy: -83.442 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: 297 Temperature: 1.200000 Total energy: -960.391847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.391847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.391847 (E_RNA) where: Base-Base interactions energy: -625.789 where: short stacking energy: -255.940 Base-Backbone interact. energy: 2.118 local terms energy: -336.720677 where: bonds (distance) C4'-P energy: -73.753 bonds (distance) P-C4' energy: -72.022 flat angles C4'-P-C4' energy: -75.924 flat angles P-C4'-P energy: -49.333 tors. eta vs tors. theta energy: -65.689 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: 9 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -655.280612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.280612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.280612 (E_RNA) where: Base-Base interactions energy: -390.989 where: short stacking energy: -201.007 Base-Backbone interact. energy: 0.789 local terms energy: -265.080289 where: bonds (distance) C4'-P energy: -62.106 bonds (distance) P-C4' energy: -69.108 flat angles C4'-P-C4' energy: -64.137 flat angles P-C4'-P energy: -35.374 tors. eta vs tors. theta energy: -34.356 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: 1 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -373.010096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.010096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.010096 (E_RNA) where: Base-Base interactions energy: -126.880 where: short stacking energy: -114.026 Base-Backbone interact. energy: 2.856 local terms energy: -248.985680 where: bonds (distance) C4'-P energy: -67.466 bonds (distance) P-C4' energy: -74.150 flat angles C4'-P-C4' energy: -52.982 flat angles P-C4'-P energy: -47.917 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: 10, replica: 5 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -299.774540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.774540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.774540 (E_RNA) where: Base-Base interactions energy: -101.057 where: short stacking energy: -86.933 Base-Backbone interact. energy: -1.497 local terms energy: -197.220419 where: bonds (distance) C4'-P energy: -55.557 bonds (distance) P-C4' energy: -69.091 flat angles C4'-P-C4' energy: -67.332 flat angles P-C4'-P energy: -21.168 tors. eta vs tors. theta energy: 15.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1387.379874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.379874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.379874 (E_RNA) where: Base-Base interactions energy: -956.698 where: short stacking energy: -426.080 Base-Backbone interact. energy: -1.381 local terms energy: -429.300607 where: bonds (distance) C4'-P energy: -72.213 bonds (distance) P-C4' energy: -79.829 flat angles C4'-P-C4' energy: -90.335 flat angles P-C4'-P energy: -54.726 tors. eta vs tors. theta energy: -132.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1347.573116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.573116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.573116 (E_RNA) where: Base-Base interactions energy: -928.239 where: short stacking energy: -399.687 Base-Backbone interact. energy: 2.547 local terms energy: -421.880712 where: bonds (distance) C4'-P energy: -76.099 bonds (distance) P-C4' energy: -76.804 flat angles C4'-P-C4' energy: -89.801 flat angles P-C4'-P energy: -64.792 tors. eta vs tors. theta energy: -114.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1294.242500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.242500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.242500 (E_RNA) where: Base-Base interactions energy: -872.687 where: short stacking energy: -403.159 Base-Backbone interact. energy: -1.478 local terms energy: -420.078173 where: bonds (distance) C4'-P energy: -76.809 bonds (distance) P-C4' energy: -66.416 flat angles C4'-P-C4' energy: -86.673 flat angles P-C4'-P energy: -60.848 tors. eta vs tors. theta energy: -129.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1271.746002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.746002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.746002 (E_RNA) where: Base-Base interactions energy: -870.466 where: short stacking energy: -347.732 Base-Backbone interact. energy: -0.224 local terms energy: -401.056245 where: bonds (distance) C4'-P energy: -73.716 bonds (distance) P-C4' energy: -74.777 flat angles C4'-P-C4' energy: -85.449 flat angles P-C4'-P energy: -66.705 tors. eta vs tors. theta energy: -100.409 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: 5, replica: 6 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1226.248127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.248127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.248127 (E_RNA) where: Base-Base interactions energy: -820.744 where: short stacking energy: -368.551 Base-Backbone interact. energy: -1.478 local terms energy: -404.025961 where: bonds (distance) C4'-P energy: -67.924 bonds (distance) P-C4' energy: -77.921 flat angles C4'-P-C4' energy: -90.181 flat angles P-C4'-P energy: -59.481 tors. eta vs tors. theta energy: -108.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1149.469615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.469615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.469615 (E_RNA) where: Base-Base interactions energy: -762.506 where: short stacking energy: -336.237 Base-Backbone interact. energy: 0.060 local terms energy: -387.023781 where: bonds (distance) C4'-P energy: -75.653 bonds (distance) P-C4' energy: -75.031 flat angles C4'-P-C4' energy: -86.158 flat angles P-C4'-P energy: -51.926 tors. eta vs tors. theta energy: -98.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -965.643997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.643997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.643997 (E_RNA) where: Base-Base interactions energy: -647.911 where: short stacking energy: -282.635 Base-Backbone interact. energy: -1.814 local terms energy: -315.919386 where: bonds (distance) C4'-P energy: -63.331 bonds (distance) P-C4' energy: -56.401 flat angles C4'-P-C4' energy: -78.085 flat angles P-C4'-P energy: -47.086 tors. eta vs tors. theta energy: -71.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -676.906067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.906067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.906067 (E_RNA) where: Base-Base interactions energy: -407.039 where: short stacking energy: -201.590 Base-Backbone interact. energy: 6.578 local terms energy: -276.445215 where: bonds (distance) C4'-P energy: -59.229 bonds (distance) P-C4' energy: -67.581 flat angles C4'-P-C4' energy: -69.869 flat angles P-C4'-P energy: -41.002 tors. eta vs tors. theta energy: -38.765 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: 9, replica: 5 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -393.184944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.184944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.184944 (E_RNA) where: Base-Base interactions energy: -148.202 where: short stacking energy: -123.259 Base-Backbone interact. energy: -2.840 local terms energy: -242.143018 where: bonds (distance) C4'-P energy: -57.364 bonds (distance) P-C4' energy: -69.640 flat angles C4'-P-C4' energy: -64.308 flat angles P-C4'-P energy: -38.164 tors. eta vs tors. theta energy: -12.666 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: 10, replica: 1 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -310.003404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.003404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.003404 (E_RNA) where: Base-Base interactions energy: -112.317 where: short stacking energy: -100.732 Base-Backbone interact. energy: 1.074 local terms energy: -198.759965 where: bonds (distance) C4'-P energy: -50.987 bonds (distance) P-C4' energy: -71.577 flat angles C4'-P-C4' energy: -46.137 flat angles P-C4'-P energy: -38.542 tors. eta vs tors. theta energy: 8.483 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: 4 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1382.292702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.292702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.292702 (E_RNA) where: Base-Base interactions energy: -941.138 where: short stacking energy: -406.417 Base-Backbone interact. energy: -1.628 local terms energy: -439.527451 where: bonds (distance) C4'-P energy: -76.927 bonds (distance) P-C4' energy: -77.255 flat angles C4'-P-C4' energy: -93.031 flat angles P-C4'-P energy: -65.230 tors. eta vs tors. theta energy: -127.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1352.863638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.863638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.863638 (E_RNA) where: Base-Base interactions energy: -937.491 where: short stacking energy: -403.464 Base-Backbone interact. energy: -3.081 local terms energy: -412.291480 where: bonds (distance) C4'-P energy: -76.685 bonds (distance) P-C4' energy: -83.993 flat angles C4'-P-C4' energy: -76.231 flat angles P-C4'-P energy: -60.209 tors. eta vs tors. theta energy: -115.174 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: 7 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1291.661038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.661038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.661038 (E_RNA) where: Base-Base interactions energy: -893.601 where: short stacking energy: -379.547 Base-Backbone interact. energy: -0.490 local terms energy: -397.569969 where: bonds (distance) C4'-P energy: -67.057 bonds (distance) P-C4' energy: -67.909 flat angles C4'-P-C4' energy: -84.176 flat angles P-C4'-P energy: -60.605 tors. eta vs tors. theta energy: -117.823 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: 299 Temperature: 1.050000 Total energy: -1242.065830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.065830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.065830 (E_RNA) where: Base-Base interactions energy: -860.175 where: short stacking energy: -375.694 Base-Backbone interact. energy: 0.022 local terms energy: -381.913325 where: bonds (distance) C4'-P energy: -58.160 bonds (distance) P-C4' energy: -72.170 flat angles C4'-P-C4' energy: -87.882 flat angles P-C4'-P energy: -47.518 tors. eta vs tors. theta energy: -116.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1242.564851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.564851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.564851 (E_RNA) where: Base-Base interactions energy: -857.183 where: short stacking energy: -378.190 Base-Backbone interact. energy: 1.635 local terms energy: -387.016871 where: bonds (distance) C4'-P energy: -69.638 bonds (distance) P-C4' energy: -80.074 flat angles C4'-P-C4' energy: -72.893 flat angles P-C4'-P energy: -60.243 tors. eta vs tors. theta energy: -104.169 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: 10 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1131.558232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.558232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.558232 (E_RNA) where: Base-Base interactions energy: -771.464 where: short stacking energy: -339.685 Base-Backbone interact. energy: 1.459 local terms energy: -361.553058 where: bonds (distance) C4'-P energy: -69.478 bonds (distance) P-C4' energy: -78.049 flat angles C4'-P-C4' energy: -72.121 flat angles P-C4'-P energy: -44.865 tors. eta vs tors. theta energy: -97.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -963.516206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.516206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.516206 (E_RNA) where: Base-Base interactions energy: -608.843 where: short stacking energy: -255.459 Base-Backbone interact. energy: -1.264 local terms energy: -353.409337 where: bonds (distance) C4'-P energy: -66.043 bonds (distance) P-C4' energy: -76.246 flat angles C4'-P-C4' energy: -78.573 flat angles P-C4'-P energy: -62.850 tors. eta vs tors. theta energy: -69.697 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: 9 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -666.803313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.803313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.803313 (E_RNA) where: Base-Base interactions energy: -387.721 where: short stacking energy: -184.650 Base-Backbone interact. energy: -2.282 local terms energy: -276.800732 where: bonds (distance) C4'-P energy: -48.526 bonds (distance) P-C4' energy: -75.811 flat angles C4'-P-C4' energy: -73.424 flat angles P-C4'-P energy: -42.619 tors. eta vs tors. theta energy: -36.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -399.050355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.050355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.050355 (E_RNA) where: Base-Base interactions energy: -181.728 where: short stacking energy: -125.498 Base-Backbone interact. energy: -1.502 local terms energy: -215.820963 where: bonds (distance) C4'-P energy: -57.797 bonds (distance) P-C4' energy: -55.696 flat angles C4'-P-C4' energy: -58.261 flat angles P-C4'-P energy: -49.631 tors. eta vs tors. theta energy: 5.564 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: 10, replica: 1 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -320.709687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.709687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.709687 (E_RNA) where: Base-Base interactions energy: -110.705 where: short stacking energy: -105.142 Base-Backbone interact. energy: 2.199 local terms energy: -212.203576 where: bonds (distance) C4'-P energy: -64.052 bonds (distance) P-C4' energy: -61.595 flat angles C4'-P-C4' energy: -64.937 flat angles P-C4'-P energy: -27.163 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: 300 Temperature: 0.900000 Total energy: -1379.947704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.947704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.947704 (E_RNA) where: Base-Base interactions energy: -948.408 where: short stacking energy: -402.795 Base-Backbone interact. energy: -2.679 local terms energy: -428.861568 where: bonds (distance) C4'-P energy: -71.329 bonds (distance) P-C4' energy: -72.635 flat angles C4'-P-C4' energy: -86.270 flat angles P-C4'-P energy: -72.073 tors. eta vs tors. theta energy: -126.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1355.365492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.365492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.365492 (E_RNA) where: Base-Base interactions energy: -936.640 where: short stacking energy: -408.690 Base-Backbone interact. energy: -3.634 local terms energy: -415.091652 where: bonds (distance) C4'-P energy: -74.317 bonds (distance) P-C4' energy: -77.870 flat angles C4'-P-C4' energy: -90.540 flat angles P-C4'-P energy: -56.559 tors. eta vs tors. theta energy: -115.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1293.601961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.601961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.601961 (E_RNA) where: Base-Base interactions energy: -869.359 where: short stacking energy: -392.823 Base-Backbone interact. energy: -0.452 local terms energy: -423.791203 where: bonds (distance) C4'-P energy: -73.871 bonds (distance) P-C4' energy: -73.100 flat angles C4'-P-C4' energy: -92.535 flat angles P-C4'-P energy: -57.305 tors. eta vs tors. theta energy: -126.980 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: 2 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1224.499451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.499451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.499451 (E_RNA) where: Base-Base interactions energy: -842.326 where: short stacking energy: -344.771 Base-Backbone interact. energy: -1.877 local terms energy: -380.296701 where: bonds (distance) C4'-P energy: -74.005 bonds (distance) P-C4' energy: -64.808 flat angles C4'-P-C4' energy: -80.741 flat angles P-C4'-P energy: -57.904 tors. eta vs tors. theta energy: -102.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1238.859856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.859856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.859856 (E_RNA) where: Base-Base interactions energy: -842.768 where: short stacking energy: -363.793 Base-Backbone interact. energy: -0.783 local terms energy: -395.309250 where: bonds (distance) C4'-P energy: -63.908 bonds (distance) P-C4' energy: -77.994 flat angles C4'-P-C4' energy: -89.141 flat angles P-C4'-P energy: -50.271 tors. eta vs tors. theta energy: -113.995 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: 10 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1099.916413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.916413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.916413 (E_RNA) where: Base-Base interactions energy: -769.785 where: short stacking energy: -322.303 Base-Backbone interact. energy: 0.067 local terms energy: -330.199039 where: bonds (distance) C4'-P energy: -66.214 bonds (distance) P-C4' energy: -72.733 flat angles C4'-P-C4' energy: -69.297 flat angles P-C4'-P energy: -50.912 tors. eta vs tors. theta energy: -71.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -998.302431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.302431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.302431 (E_RNA) where: Base-Base interactions energy: -679.866 where: short stacking energy: -298.734 Base-Backbone interact. energy: -2.285 local terms energy: -316.152208 where: bonds (distance) C4'-P energy: -52.669 bonds (distance) P-C4' energy: -63.941 flat angles C4'-P-C4' energy: -61.699 flat angles P-C4'-P energy: -50.659 tors. eta vs tors. theta energy: -87.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -656.029791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.029791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.029791 (E_RNA) where: Base-Base interactions energy: -382.804 where: short stacking energy: -177.127 Base-Backbone interact. energy: -1.083 local terms energy: -272.142370 where: bonds (distance) C4'-P energy: -65.399 bonds (distance) P-C4' energy: -75.349 flat angles C4'-P-C4' energy: -67.210 flat angles P-C4'-P energy: -37.028 tors. eta vs tors. theta energy: -27.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -437.000874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.000874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.000874 (E_RNA) where: Base-Base interactions energy: -230.759 where: short stacking energy: -151.328 Base-Backbone interact. energy: -0.836 local terms energy: -205.405717 where: bonds (distance) C4'-P energy: -47.140 bonds (distance) P-C4' energy: -55.555 flat angles C4'-P-C4' energy: -57.853 flat angles P-C4'-P energy: -35.344 tors. eta vs tors. theta energy: -9.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -311.951987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.951987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.951987 (E_RNA) where: Base-Base interactions energy: -112.970 where: short stacking energy: -79.117 Base-Backbone interact. energy: 0.699 local terms energy: -199.681056 where: bonds (distance) C4'-P energy: -63.762 bonds (distance) P-C4' energy: -75.530 flat angles C4'-P-C4' energy: -66.596 flat angles P-C4'-P energy: -15.599 tors. eta vs tors. theta energy: 21.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1392.791806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.791806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.791806 (E_RNA) where: Base-Base interactions energy: -952.966 where: short stacking energy: -405.446 Base-Backbone interact. energy: -0.976 local terms energy: -438.849781 where: bonds (distance) C4'-P energy: -78.803 bonds (distance) P-C4' energy: -80.475 flat angles C4'-P-C4' energy: -94.390 flat angles P-C4'-P energy: -60.706 tors. eta vs tors. theta energy: -124.476 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: 7 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1341.398764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.398764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.398764 (E_RNA) where: Base-Base interactions energy: -901.265 where: short stacking energy: -402.985 Base-Backbone interact. energy: -1.444 local terms energy: -438.689696 where: bonds (distance) C4'-P energy: -82.163 bonds (distance) P-C4' energy: -78.589 flat angles C4'-P-C4' energy: -86.288 flat angles P-C4'-P energy: -64.676 tors. eta vs tors. theta energy: -126.974 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: 301 Temperature: 1.000000 Total energy: -1293.001783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.001783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.001783 (E_RNA) where: Base-Base interactions energy: -895.134 where: short stacking energy: -384.193 Base-Backbone interact. energy: -1.591 local terms energy: -396.276739 where: bonds (distance) C4'-P energy: -83.079 bonds (distance) P-C4' energy: -68.464 flat angles C4'-P-C4' energy: -88.721 flat angles P-C4'-P energy: -50.291 tors. eta vs tors. theta energy: -105.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1249.273766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.273766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.273766 (E_RNA) where: Base-Base interactions energy: -872.950 where: short stacking energy: -381.466 Base-Backbone interact. energy: -2.284 local terms energy: -374.039814 where: bonds (distance) C4'-P energy: -63.124 bonds (distance) P-C4' energy: -75.537 flat angles C4'-P-C4' energy: -84.269 flat angles P-C4'-P energy: -52.417 tors. eta vs tors. theta energy: -98.694 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: 2 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1191.214681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.214681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.214681 (E_RNA) where: Base-Base interactions energy: -825.982 where: short stacking energy: -329.565 Base-Backbone interact. energy: -2.458 local terms energy: -362.774533 where: bonds (distance) C4'-P energy: -77.943 bonds (distance) P-C4' energy: -74.086 flat angles C4'-P-C4' energy: -69.743 flat angles P-C4'-P energy: -41.378 tors. eta vs tors. theta energy: -99.625 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: 10 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1070.914750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.914750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.914750 (E_RNA) where: Base-Base interactions energy: -714.309 where: short stacking energy: -312.499 Base-Backbone interact. energy: 3.701 local terms energy: -360.306714 where: bonds (distance) C4'-P energy: -63.958 bonds (distance) P-C4' energy: -71.573 flat angles C4'-P-C4' energy: -88.674 flat angles P-C4'-P energy: -54.119 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: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -986.251072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.251072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.251072 (E_RNA) where: Base-Base interactions energy: -667.158 where: short stacking energy: -304.958 Base-Backbone interact. energy: -0.291 local terms energy: -318.802049 where: bonds (distance) C4'-P energy: -51.032 bonds (distance) P-C4' energy: -55.927 flat angles C4'-P-C4' energy: -76.184 flat angles P-C4'-P energy: -58.369 tors. eta vs tors. theta energy: -77.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -660.133825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.133825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.133825 (E_RNA) where: Base-Base interactions energy: -390.874 where: short stacking energy: -210.701 Base-Backbone interact. energy: -0.754 local terms energy: -268.505849 where: bonds (distance) C4'-P energy: -46.217 bonds (distance) P-C4' energy: -81.724 flat angles C4'-P-C4' energy: -55.549 flat angles P-C4'-P energy: -43.261 tors. eta vs tors. theta energy: -41.755 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: 5 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -438.229595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.229595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.229595 (E_RNA) where: Base-Base interactions energy: -235.724 where: short stacking energy: -145.256 Base-Backbone interact. energy: 4.503 local terms energy: -207.009133 where: bonds (distance) C4'-P energy: -61.624 bonds (distance) P-C4' energy: -63.306 flat angles C4'-P-C4' energy: -49.001 flat angles P-C4'-P energy: -20.381 tors. eta vs tors. theta energy: -12.697 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: 1 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -327.306521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.306521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.306521 (E_RNA) where: Base-Base interactions energy: -111.209 where: short stacking energy: -96.426 Base-Backbone interact. energy: -0.625 local terms energy: -215.471888 where: bonds (distance) C4'-P energy: -69.173 bonds (distance) P-C4' energy: -56.252 flat angles C4'-P-C4' energy: -55.304 flat angles P-C4'-P energy: -39.920 tors. eta vs tors. theta energy: 5.176 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: 4 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1398.901799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.901799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.901799 (E_RNA) where: Base-Base interactions energy: -960.318 where: short stacking energy: -423.080 Base-Backbone interact. energy: -1.676 local terms energy: -436.907182 where: bonds (distance) C4'-P energy: -82.386 bonds (distance) P-C4' energy: -74.033 flat angles C4'-P-C4' energy: -97.021 flat angles P-C4'-P energy: -57.511 tors. eta vs tors. theta energy: -125.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1339.871298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.871298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.871298 (E_RNA) where: Base-Base interactions energy: -912.945 where: short stacking energy: -422.204 Base-Backbone interact. energy: -0.598 local terms energy: -426.328856 where: bonds (distance) C4'-P energy: -79.682 bonds (distance) P-C4' energy: -75.756 flat angles C4'-P-C4' energy: -83.312 flat angles P-C4'-P energy: -56.655 tors. eta vs tors. theta energy: -130.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1302.734802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.734802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.734802 (E_RNA) where: Base-Base interactions energy: -898.453 where: short stacking energy: -368.522 Base-Backbone interact. energy: -1.779 local terms energy: -402.502729 where: bonds (distance) C4'-P energy: -74.656 bonds (distance) P-C4' energy: -68.687 flat angles C4'-P-C4' energy: -89.862 flat angles P-C4'-P energy: -62.079 tors. eta vs tors. theta energy: -107.219 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: 3 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1261.551960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.551960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.551960 (E_RNA) where: Base-Base interactions energy: -855.157 where: short stacking energy: -378.674 Base-Backbone interact. energy: -1.741 local terms energy: -404.653109 where: bonds (distance) C4'-P energy: -71.248 bonds (distance) P-C4' energy: -87.528 flat angles C4'-P-C4' energy: -79.443 flat angles P-C4'-P energy: -61.649 tors. eta vs tors. theta energy: -104.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1214.227800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.227800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.227800 (E_RNA) where: Base-Base interactions energy: -826.319 where: short stacking energy: -334.942 Base-Backbone interact. energy: -0.542 local terms energy: -387.366848 where: bonds (distance) C4'-P energy: -76.148 bonds (distance) P-C4' energy: -80.164 flat angles C4'-P-C4' energy: -85.157 flat angles P-C4'-P energy: -49.413 tors. eta vs tors. theta energy: -96.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1065.262020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.262020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.262020 (E_RNA) where: Base-Base interactions energy: -705.116 where: short stacking energy: -299.558 Base-Backbone interact. energy: -0.112 local terms energy: -360.034384 where: bonds (distance) C4'-P energy: -71.650 bonds (distance) P-C4' energy: -70.925 flat angles C4'-P-C4' energy: -72.392 flat angles P-C4'-P energy: -60.020 tors. eta vs tors. theta energy: -85.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -977.456526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.456526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.456526 (E_RNA) where: Base-Base interactions energy: -650.903 where: short stacking energy: -283.155 Base-Backbone interact. energy: -0.872 local terms energy: -325.681958 where: bonds (distance) C4'-P energy: -69.751 bonds (distance) P-C4' energy: -64.064 flat angles C4'-P-C4' energy: -68.727 flat angles P-C4'-P energy: -43.685 tors. eta vs tors. theta energy: -79.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -651.936064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.936064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.936064 (E_RNA) where: Base-Base interactions energy: -413.646 where: short stacking energy: -196.707 Base-Backbone interact. energy: -1.670 local terms energy: -236.619784 where: bonds (distance) C4'-P energy: -68.794 bonds (distance) P-C4' energy: -48.587 flat angles C4'-P-C4' energy: -49.085 flat angles P-C4'-P energy: -40.524 tors. eta vs tors. theta energy: -29.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -462.392495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.392495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.392495 (E_RNA) where: Base-Base interactions energy: -232.947 where: short stacking energy: -118.929 Base-Backbone interact. energy: -2.432 local terms energy: -227.013939 where: bonds (distance) C4'-P energy: -61.539 bonds (distance) P-C4' energy: -66.905 flat angles C4'-P-C4' energy: -32.167 flat angles P-C4'-P energy: -52.370 tors. eta vs tors. theta energy: -14.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -383.097781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.097781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.097781 (E_RNA) where: Base-Base interactions energy: -145.543 where: short stacking energy: -94.550 Base-Backbone interact. energy: -1.318 local terms energy: -236.237413 where: bonds (distance) C4'-P energy: -72.173 bonds (distance) P-C4' energy: -55.416 flat angles C4'-P-C4' energy: -62.150 flat angles P-C4'-P energy: -43.789 tors. eta vs tors. theta energy: -2.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1395.948803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.948803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.948803 (E_RNA) where: Base-Base interactions energy: -961.462 where: short stacking energy: -426.796 Base-Backbone interact. energy: -1.096 local terms energy: -433.391073 where: bonds (distance) C4'-P energy: -86.520 bonds (distance) P-C4' energy: -73.089 flat angles C4'-P-C4' energy: -84.563 flat angles P-C4'-P energy: -61.904 tors. eta vs tors. theta energy: -127.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1334.508346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.508346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.508346 (E_RNA) where: Base-Base interactions energy: -911.296 where: short stacking energy: -419.724 Base-Backbone interact. energy: -0.205 local terms energy: -423.007518 where: bonds (distance) C4'-P energy: -69.673 bonds (distance) P-C4' energy: -75.978 flat angles C4'-P-C4' energy: -91.155 flat angles P-C4'-P energy: -54.215 tors. eta vs tors. theta energy: -131.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1295.567434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.567434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.567434 (E_RNA) where: Base-Base interactions energy: -890.730 where: short stacking energy: -401.228 Base-Backbone interact. energy: 0.313 local terms energy: -405.150376 where: bonds (distance) C4'-P energy: -81.490 bonds (distance) P-C4' energy: -71.415 flat angles C4'-P-C4' energy: -82.899 flat angles P-C4'-P energy: -56.523 tors. eta vs tors. theta energy: -112.823 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: 3 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1251.140776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.140776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.140776 (E_RNA) where: Base-Base interactions energy: -868.542 where: short stacking energy: -365.449 Base-Backbone interact. energy: 2.848 local terms energy: -385.446863 where: bonds (distance) C4'-P energy: -66.955 bonds (distance) P-C4' energy: -73.624 flat angles C4'-P-C4' energy: -87.964 flat angles P-C4'-P energy: -55.173 tors. eta vs tors. theta energy: -101.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1172.025849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.025849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.025849 (E_RNA) where: Base-Base interactions energy: -809.130 where: short stacking energy: -332.855 Base-Backbone interact. energy: -0.345 local terms energy: -362.551279 where: bonds (distance) C4'-P energy: -71.527 bonds (distance) P-C4' energy: -66.597 flat angles C4'-P-C4' energy: -84.115 flat angles P-C4'-P energy: -52.526 tors. eta vs tors. theta energy: -87.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1066.106260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.106260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.106260 (E_RNA) where: Base-Base interactions energy: -720.809 where: short stacking energy: -320.124 Base-Backbone interact. energy: -2.517 local terms energy: -342.779859 where: bonds (distance) C4'-P energy: -53.300 bonds (distance) P-C4' energy: -83.397 flat angles C4'-P-C4' energy: -71.514 flat angles P-C4'-P energy: -52.961 tors. eta vs tors. theta energy: -81.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -981.042879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.042879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.042879 (E_RNA) where: Base-Base interactions energy: -663.300 where: short stacking energy: -286.953 Base-Backbone interact. energy: -1.081 local terms energy: -316.662294 where: bonds (distance) C4'-P energy: -50.430 bonds (distance) P-C4' energy: -69.451 flat angles C4'-P-C4' energy: -73.882 flat angles P-C4'-P energy: -44.801 tors. eta vs tors. theta energy: -78.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -714.274346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.274346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.274346 (E_RNA) where: Base-Base interactions energy: -423.979 where: short stacking energy: -211.658 Base-Backbone interact. energy: 2.855 local terms energy: -293.150427 where: bonds (distance) C4'-P energy: -61.337 bonds (distance) P-C4' energy: -75.625 flat angles C4'-P-C4' energy: -64.141 flat angles P-C4'-P energy: -40.004 tors. eta vs tors. theta energy: -52.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -447.585847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.585847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.585847 (E_RNA) where: Base-Base interactions energy: -226.688 where: short stacking energy: -130.866 Base-Backbone interact. energy: -0.249 local terms energy: -220.649300 where: bonds (distance) C4'-P energy: -68.284 bonds (distance) P-C4' energy: -68.065 flat angles C4'-P-C4' energy: -49.022 flat angles P-C4'-P energy: -23.115 tors. eta vs tors. theta energy: -12.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -319.765045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.765045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.765045 (E_RNA) where: Base-Base interactions energy: -126.078 where: short stacking energy: -105.144 Base-Backbone interact. energy: 0.292 local terms energy: -193.979367 where: bonds (distance) C4'-P energy: -50.385 bonds (distance) P-C4' energy: -64.777 flat angles C4'-P-C4' energy: -61.035 flat angles P-C4'-P energy: -37.339 tors. eta vs tors. theta energy: 19.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1405.882869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.882869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.882869 (E_RNA) where: Base-Base interactions energy: -974.920 where: short stacking energy: -403.653 Base-Backbone interact. energy: -0.342 local terms energy: -430.620521 where: bonds (distance) C4'-P energy: -79.817 bonds (distance) P-C4' energy: -85.923 flat angles C4'-P-C4' energy: -83.583 flat angles P-C4'-P energy: -60.608 tors. eta vs tors. theta energy: -120.690 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: 2, replica: 7 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1345.022738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.022738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.022738 (E_RNA) where: Base-Base interactions energy: -915.588 where: short stacking energy: -414.848 Base-Backbone interact. energy: -0.672 local terms energy: -428.762713 where: bonds (distance) C4'-P energy: -69.161 bonds (distance) P-C4' energy: -81.673 flat angles C4'-P-C4' energy: -89.417 flat angles P-C4'-P energy: -60.728 tors. eta vs tors. theta energy: -127.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1304.969525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.969525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.969525 (E_RNA) where: Base-Base interactions energy: -888.613 where: short stacking energy: -394.067 Base-Backbone interact. energy: -0.617 local terms energy: -415.739312 where: bonds (distance) C4'-P energy: -73.459 bonds (distance) P-C4' energy: -81.475 flat angles C4'-P-C4' energy: -87.862 flat angles P-C4'-P energy: -60.771 tors. eta vs tors. theta energy: -112.173 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: 3 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1266.156443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.156443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.156443 (E_RNA) where: Base-Base interactions energy: -879.364 where: short stacking energy: -372.313 Base-Backbone interact. energy: -1.573 local terms energy: -385.219953 where: bonds (distance) C4'-P energy: -72.431 bonds (distance) P-C4' energy: -71.180 flat angles C4'-P-C4' energy: -79.633 flat angles P-C4'-P energy: -54.006 tors. eta vs tors. theta energy: -107.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1169.817970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.817970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.817970 (E_RNA) where: Base-Base interactions energy: -785.717 where: short stacking energy: -343.954 Base-Backbone interact. energy: -0.795 local terms energy: -383.306018 where: bonds (distance) C4'-P energy: -77.627 bonds (distance) P-C4' energy: -64.406 flat angles C4'-P-C4' energy: -82.328 flat angles P-C4'-P energy: -60.910 tors. eta vs tors. theta energy: -98.036 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: 10 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1065.810693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.810693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.810693 (E_RNA) where: Base-Base interactions energy: -755.619 where: short stacking energy: -319.672 Base-Backbone interact. energy: -0.743 local terms energy: -309.448125 where: bonds (distance) C4'-P energy: -48.885 bonds (distance) P-C4' energy: -69.197 flat angles C4'-P-C4' energy: -68.481 flat angles P-C4'-P energy: -44.683 tors. eta vs tors. theta energy: -78.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -995.613235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.613235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.613235 (E_RNA) where: Base-Base interactions energy: -659.797 where: short stacking energy: -287.157 Base-Backbone interact. energy: -1.663 local terms energy: -334.153462 where: bonds (distance) C4'-P energy: -62.189 bonds (distance) P-C4' energy: -69.860 flat angles C4'-P-C4' energy: -65.285 flat angles P-C4'-P energy: -50.737 tors. eta vs tors. theta energy: -86.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -767.247996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.247996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.247996 (E_RNA) where: Base-Base interactions energy: -485.427 where: short stacking energy: -216.555 Base-Backbone interact. energy: 1.789 local terms energy: -283.610112 where: bonds (distance) C4'-P energy: -61.306 bonds (distance) P-C4' energy: -69.229 flat angles C4'-P-C4' energy: -68.783 flat angles P-C4'-P energy: -36.747 tors. eta vs tors. theta energy: -47.545 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: 5 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -490.014164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.014164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.014164 (E_RNA) where: Base-Base interactions energy: -250.073 where: short stacking energy: -140.953 Base-Backbone interact. energy: -0.362 local terms energy: -239.579258 where: bonds (distance) C4'-P energy: -62.228 bonds (distance) P-C4' energy: -67.054 flat angles C4'-P-C4' energy: -55.981 flat angles P-C4'-P energy: -45.407 tors. eta vs tors. theta energy: -8.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -314.821658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.821658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.821658 (E_RNA) where: Base-Base interactions energy: -132.856 where: short stacking energy: -98.859 Base-Backbone interact. energy: 1.050 local terms energy: -183.015410 where: bonds (distance) C4'-P energy: -71.447 bonds (distance) P-C4' energy: -56.516 flat angles C4'-P-C4' energy: -52.933 flat angles P-C4'-P energy: -23.248 tors. eta vs tors. theta energy: 21.127 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: 4 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1399.625765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625765 (E_RNA) where: Base-Base interactions energy: -971.196 where: short stacking energy: -433.960 Base-Backbone interact. energy: -1.135 local terms energy: -427.294700 where: bonds (distance) C4'-P energy: -69.042 bonds (distance) P-C4' energy: -77.253 flat angles C4'-P-C4' energy: -96.123 flat angles P-C4'-P energy: -61.700 tors. eta vs tors. theta energy: -123.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1338.089317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.089317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.089317 (E_RNA) where: Base-Base interactions energy: -918.839 where: short stacking energy: -415.973 Base-Backbone interact. energy: -1.860 local terms energy: -417.390397 where: bonds (distance) C4'-P energy: -79.966 bonds (distance) P-C4' energy: -66.834 flat angles C4'-P-C4' energy: -84.513 flat angles P-C4'-P energy: -55.308 tors. eta vs tors. theta energy: -130.769 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: 6 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1272.913488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.913488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.913488 (E_RNA) where: Base-Base interactions energy: -861.094 where: short stacking energy: -382.475 Base-Backbone interact. energy: -0.564 local terms energy: -411.255499 where: bonds (distance) C4'-P energy: -79.247 bonds (distance) P-C4' energy: -88.838 flat angles C4'-P-C4' energy: -85.559 flat angles P-C4'-P energy: -47.382 tors. eta vs tors. theta energy: -110.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1280.761656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.761656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.761656 (E_RNA) where: Base-Base interactions energy: -871.975 where: short stacking energy: -378.688 Base-Backbone interact. energy: -2.481 local terms energy: -406.305921 where: bonds (distance) C4'-P energy: -74.090 bonds (distance) P-C4' energy: -73.949 flat angles C4'-P-C4' energy: -94.727 flat angles P-C4'-P energy: -56.882 tors. eta vs tors. theta energy: -106.658 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: 2 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1199.890011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.890011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.890011 (E_RNA) where: Base-Base interactions energy: -840.327 where: short stacking energy: -356.424 Base-Backbone interact. energy: -1.273 local terms energy: -358.290490 where: bonds (distance) C4'-P energy: -66.184 bonds (distance) P-C4' energy: -68.606 flat angles C4'-P-C4' energy: -84.414 flat angles P-C4'-P energy: -43.274 tors. eta vs tors. theta energy: -95.813 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: 8 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1022.227979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.227979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.227979 (E_RNA) where: Base-Base interactions energy: -702.167 where: short stacking energy: -291.412 Base-Backbone interact. energy: -2.338 local terms energy: -317.722138 where: bonds (distance) C4'-P energy: -58.148 bonds (distance) P-C4' energy: -61.569 flat angles C4'-P-C4' energy: -63.288 flat angles P-C4'-P energy: -59.129 tors. eta vs tors. theta energy: -75.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1033.325004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.325004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.325004 (E_RNA) where: Base-Base interactions energy: -710.639 where: short stacking energy: -308.084 Base-Backbone interact. energy: 0.118 local terms energy: -322.803893 where: bonds (distance) C4'-P energy: -62.492 bonds (distance) P-C4' energy: -73.916 flat angles C4'-P-C4' energy: -70.112 flat angles P-C4'-P energy: -43.479 tors. eta vs tors. theta energy: -72.805 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: 9 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -746.977498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.977498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.977498 (E_RNA) where: Base-Base interactions energy: -444.242 where: short stacking energy: -210.384 Base-Backbone interact. energy: -1.148 local terms energy: -301.588038 where: bonds (distance) C4'-P energy: -73.531 bonds (distance) P-C4' energy: -81.516 flat angles C4'-P-C4' energy: -58.474 flat angles P-C4'-P energy: -41.839 tors. eta vs tors. theta energy: -46.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -491.716232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.716232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.716232 (E_RNA) where: Base-Base interactions energy: -277.747 where: short stacking energy: -148.378 Base-Backbone interact. energy: -2.207 local terms energy: -211.762472 where: bonds (distance) C4'-P energy: -62.574 bonds (distance) P-C4' energy: -56.355 flat angles C4'-P-C4' energy: -55.049 flat angles P-C4'-P energy: -33.907 tors. eta vs tors. theta energy: -3.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -340.066267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.066267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.066267 (E_RNA) where: Base-Base interactions energy: -109.373 where: short stacking energy: -92.149 Base-Backbone interact. energy: 0.657 local terms energy: -231.351053 where: bonds (distance) C4'-P energy: -65.711 bonds (distance) P-C4' energy: -82.888 flat angles C4'-P-C4' energy: -59.662 flat angles P-C4'-P energy: -22.271 tors. eta vs tors. theta energy: -0.819 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: 306 Temperature: 0.900000 Total energy: -1388.132128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.132128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.132128 (E_RNA) where: Base-Base interactions energy: -934.892 where: short stacking energy: -396.017 Base-Backbone interact. energy: -2.653 local terms energy: -450.586713 where: bonds (distance) C4'-P energy: -81.104 bonds (distance) P-C4' energy: -87.141 flat angles C4'-P-C4' energy: -93.654 flat angles P-C4'-P energy: -59.640 tors. eta vs tors. theta energy: -129.048 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: 7 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1331.078750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.078750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.078750 (E_RNA) where: Base-Base interactions energy: -887.660 where: short stacking energy: -413.745 Base-Backbone interact. energy: -0.232 local terms energy: -443.186865 where: bonds (distance) C4'-P energy: -75.252 bonds (distance) P-C4' energy: -80.277 flat angles C4'-P-C4' energy: -93.568 flat angles P-C4'-P energy: -62.700 tors. eta vs tors. theta energy: -131.389 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: 6 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1294.793391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.793391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.793391 (E_RNA) where: Base-Base interactions energy: -901.165 where: short stacking energy: -383.946 Base-Backbone interact. energy: -0.167 local terms energy: -393.461370 where: bonds (distance) C4'-P energy: -70.555 bonds (distance) P-C4' energy: -78.995 flat angles C4'-P-C4' energy: -80.088 flat angles P-C4'-P energy: -54.246 tors. eta vs tors. theta energy: -109.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1270.388404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.388404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.388404 (E_RNA) where: Base-Base interactions energy: -885.282 where: short stacking energy: -381.822 Base-Backbone interact. energy: -1.863 local terms energy: -383.243806 where: bonds (distance) C4'-P energy: -69.377 bonds (distance) P-C4' energy: -64.402 flat angles C4'-P-C4' energy: -81.597 flat angles P-C4'-P energy: -58.396 tors. eta vs tors. theta energy: -109.472 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: 306 Temperature: 1.100000 Total energy: -1183.559111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.559111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.559111 (E_RNA) where: Base-Base interactions energy: -824.529 where: short stacking energy: -336.599 Base-Backbone interact. energy: -1.750 local terms energy: -357.280069 where: bonds (distance) C4'-P energy: -62.806 bonds (distance) P-C4' energy: -74.861 flat angles C4'-P-C4' energy: -69.817 flat angles P-C4'-P energy: -47.925 tors. eta vs tors. theta energy: -101.871 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: 6, replica: 8 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1015.227974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.227974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.227974 (E_RNA) where: Base-Base interactions energy: -686.450 where: short stacking energy: -289.647 Base-Backbone interact. energy: -1.908 local terms energy: -326.869602 where: bonds (distance) C4'-P energy: -59.156 bonds (distance) P-C4' energy: -64.138 flat angles C4'-P-C4' energy: -74.057 flat angles P-C4'-P energy: -57.011 tors. eta vs tors. theta energy: -72.508 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: 10 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1010.389906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.389906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.389906 (E_RNA) where: Base-Base interactions energy: -662.208 where: short stacking energy: -298.153 Base-Backbone interact. energy: -1.857 local terms energy: -346.325058 where: bonds (distance) C4'-P energy: -72.187 bonds (distance) P-C4' energy: -72.236 flat angles C4'-P-C4' energy: -72.208 flat angles P-C4'-P energy: -48.143 tors. eta vs tors. theta energy: -81.551 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: 9 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -654.636228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.636228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.636228 (E_RNA) where: Base-Base interactions energy: -403.803 where: short stacking energy: -198.068 Base-Backbone interact. energy: -0.430 local terms energy: -250.403135 where: bonds (distance) C4'-P energy: -50.634 bonds (distance) P-C4' energy: -67.717 flat angles C4'-P-C4' energy: -61.947 flat angles P-C4'-P energy: -44.274 tors. eta vs tors. theta energy: -25.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -503.966324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.966324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.966324 (E_RNA) where: Base-Base interactions energy: -279.036 where: short stacking energy: -164.498 Base-Backbone interact. energy: 0.585 local terms energy: -225.515832 where: bonds (distance) C4'-P energy: -62.566 bonds (distance) P-C4' energy: -59.110 flat angles C4'-P-C4' energy: -64.224 flat angles P-C4'-P energy: -27.459 tors. eta vs tors. theta energy: -12.158 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: 306 Temperature: 1.350000 Total energy: -309.929275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.929275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.929275 (E_RNA) where: Base-Base interactions energy: -97.505 where: short stacking energy: -76.308 Base-Backbone interact. energy: -0.656 local terms energy: -211.768436 where: bonds (distance) C4'-P energy: -70.898 bonds (distance) P-C4' energy: -66.988 flat angles C4'-P-C4' energy: -57.026 flat angles P-C4'-P energy: -37.360 tors. eta vs tors. theta energy: 20.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1396.996129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.996129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.996129 (E_RNA) where: Base-Base interactions energy: -949.569 where: short stacking energy: -409.259 Base-Backbone interact. energy: 0.857 local terms energy: -448.284543 where: bonds (distance) C4'-P energy: -80.183 bonds (distance) P-C4' energy: -86.611 flat angles C4'-P-C4' energy: -93.069 flat angles P-C4'-P energy: -63.494 tors. eta vs tors. theta energy: -124.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1326.895967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.895967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.895967 (E_RNA) where: Base-Base interactions energy: -890.195 where: short stacking energy: -425.708 Base-Backbone interact. energy: -2.427 local terms energy: -434.273873 where: bonds (distance) C4'-P energy: -72.292 bonds (distance) P-C4' energy: -71.453 flat angles C4'-P-C4' energy: -100.396 flat angles P-C4'-P energy: -51.120 tors. eta vs tors. theta energy: -139.013 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: 6 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1306.274277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.274277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.274277 (E_RNA) where: Base-Base interactions energy: -891.166 where: short stacking energy: -393.674 Base-Backbone interact. energy: -2.633 local terms energy: -412.475117 where: bonds (distance) C4'-P energy: -70.223 bonds (distance) P-C4' energy: -77.362 flat angles C4'-P-C4' energy: -89.331 flat angles P-C4'-P energy: -58.959 tors. eta vs tors. theta energy: -116.600 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: 3 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1273.190423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.190423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.190423 (E_RNA) where: Base-Base interactions energy: -883.068 where: short stacking energy: -368.817 Base-Backbone interact. energy: -1.688 local terms energy: -388.435206 where: bonds (distance) C4'-P energy: -67.083 bonds (distance) P-C4' energy: -74.385 flat angles C4'-P-C4' energy: -81.333 flat angles P-C4'-P energy: -59.665 tors. eta vs tors. theta energy: -105.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1199.091016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.091016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.091016 (E_RNA) where: Base-Base interactions energy: -827.102 where: short stacking energy: -343.619 Base-Backbone interact. energy: -1.291 local terms energy: -370.698318 where: bonds (distance) C4'-P energy: -75.707 bonds (distance) P-C4' energy: -74.032 flat angles C4'-P-C4' energy: -79.886 flat angles P-C4'-P energy: -43.452 tors. eta vs tors. theta energy: -97.621 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: 10 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1091.447629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.447629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.447629 (E_RNA) where: Base-Base interactions energy: -738.897 where: short stacking energy: -315.596 Base-Backbone interact. energy: -0.065 local terms energy: -352.484913 where: bonds (distance) C4'-P energy: -64.676 bonds (distance) P-C4' energy: -67.899 flat angles C4'-P-C4' energy: -75.231 flat angles P-C4'-P energy: -58.001 tors. eta vs tors. theta energy: -86.678 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: 307 Temperature: 1.200000 Total energy: -961.288830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.288830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.288830 (E_RNA) where: Base-Base interactions energy: -653.727 where: short stacking energy: -282.153 Base-Backbone interact. energy: -1.690 local terms energy: -305.872352 where: bonds (distance) C4'-P energy: -66.106 bonds (distance) P-C4' energy: -55.286 flat angles C4'-P-C4' energy: -64.485 flat angles P-C4'-P energy: -39.942 tors. eta vs tors. theta energy: -80.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -752.850879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.850879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.850879 (E_RNA) where: Base-Base interactions energy: -468.321 where: short stacking energy: -218.030 Base-Backbone interact. energy: -0.604 local terms energy: -283.925667 where: bonds (distance) C4'-P energy: -69.767 bonds (distance) P-C4' energy: -69.994 flat angles C4'-P-C4' energy: -68.077 flat angles P-C4'-P energy: -33.848 tors. eta vs tors. theta energy: -42.238 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: 5 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -533.996563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.996563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.996563 (E_RNA) where: Base-Base interactions energy: -288.340 where: short stacking energy: -154.508 Base-Backbone interact. energy: -1.806 local terms energy: -243.850322 where: bonds (distance) C4'-P energy: -61.851 bonds (distance) P-C4' energy: -57.129 flat angles C4'-P-C4' energy: -60.886 flat angles P-C4'-P energy: -39.749 tors. eta vs tors. theta energy: -24.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -326.582641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.582641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.582641 (E_RNA) where: Base-Base interactions energy: -125.485 where: short stacking energy: -89.690 Base-Backbone interact. energy: 1.233 local terms energy: -202.330747 where: bonds (distance) C4'-P energy: -58.699 bonds (distance) P-C4' energy: -58.456 flat angles C4'-P-C4' energy: -57.348 flat angles P-C4'-P energy: -38.830 tors. eta vs tors. theta energy: 11.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1388.156128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.156128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.156128 (E_RNA) where: Base-Base interactions energy: -949.639 where: short stacking energy: -406.500 Base-Backbone interact. energy: -2.843 local terms energy: -435.674071 where: bonds (distance) C4'-P energy: -78.369 bonds (distance) P-C4' energy: -74.808 flat angles C4'-P-C4' energy: -93.757 flat angles P-C4'-P energy: -58.993 tors. eta vs tors. theta energy: -129.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1335.574848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.574848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.574848 (E_RNA) where: Base-Base interactions energy: -912.977 where: short stacking energy: -417.856 Base-Backbone interact. energy: -1.440 local terms energy: -421.158597 where: bonds (distance) C4'-P energy: -71.077 bonds (distance) P-C4' energy: -80.128 flat angles C4'-P-C4' energy: -87.331 flat angles P-C4'-P energy: -58.663 tors. eta vs tors. theta energy: -123.960 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: 3, replica: 6 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1315.382503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.382503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.382503 (E_RNA) where: Base-Base interactions energy: -911.782 where: short stacking energy: -391.195 Base-Backbone interact. energy: -0.707 local terms energy: -402.893175 where: bonds (distance) C4'-P energy: -65.279 bonds (distance) P-C4' energy: -84.467 flat angles C4'-P-C4' energy: -84.085 flat angles P-C4'-P energy: -53.834 tors. eta vs tors. theta energy: -115.229 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: 3 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1280.264642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.264642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.264642 (E_RNA) where: Base-Base interactions energy: -885.190 where: short stacking energy: -381.158 Base-Backbone interact. energy: -3.100 local terms energy: -391.974998 where: bonds (distance) C4'-P energy: -70.580 bonds (distance) P-C4' energy: -72.770 flat angles C4'-P-C4' energy: -85.424 flat angles P-C4'-P energy: -54.886 tors. eta vs tors. theta energy: -108.315 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: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1248.667874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.667874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.667874 (E_RNA) where: Base-Base interactions energy: -859.885 where: short stacking energy: -345.765 Base-Backbone interact. energy: -2.293 local terms energy: -386.489939 where: bonds (distance) C4'-P energy: -74.005 bonds (distance) P-C4' energy: -76.020 flat angles C4'-P-C4' energy: -81.239 flat angles P-C4'-P energy: -46.130 tors. eta vs tors. theta energy: -109.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1054.278739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.278739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.278739 (E_RNA) where: Base-Base interactions energy: -731.216 where: short stacking energy: -328.443 Base-Backbone interact. energy: 0.131 local terms energy: -323.193702 where: bonds (distance) C4'-P energy: -55.640 bonds (distance) P-C4' energy: -74.860 flat angles C4'-P-C4' energy: -72.541 flat angles P-C4'-P energy: -45.060 tors. eta vs tors. theta energy: -75.093 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: 308 Temperature: 1.200000 Total energy: -960.414783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.414783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.414783 (E_RNA) where: Base-Base interactions energy: -620.918 where: short stacking energy: -280.365 Base-Backbone interact. energy: 0.880 local terms energy: -340.377457 where: bonds (distance) C4'-P energy: -63.441 bonds (distance) P-C4' energy: -70.122 flat angles C4'-P-C4' energy: -85.757 flat angles P-C4'-P energy: -47.938 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: 8, replica: 9 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -774.926108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.926108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.926108 (E_RNA) where: Base-Base interactions energy: -470.479 where: short stacking energy: -212.122 Base-Backbone interact. energy: 1.503 local terms energy: -305.950351 where: bonds (distance) C4'-P energy: -70.222 bonds (distance) P-C4' energy: -65.899 flat angles C4'-P-C4' energy: -69.799 flat angles P-C4'-P energy: -51.723 tors. eta vs tors. theta energy: -48.307 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: 5 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -506.672824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.672824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.672824 (E_RNA) where: Base-Base interactions energy: -300.832 where: short stacking energy: -157.390 Base-Backbone interact. energy: 4.379 local terms energy: -210.218943 where: bonds (distance) C4'-P energy: -42.139 bonds (distance) P-C4' energy: -58.887 flat angles C4'-P-C4' energy: -64.540 flat angles P-C4'-P energy: -31.287 tors. eta vs tors. theta energy: -13.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -336.778292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.778292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.778292 (E_RNA) where: Base-Base interactions energy: -114.718 where: short stacking energy: -91.636 Base-Backbone interact. energy: -1.621 local terms energy: -220.439183 where: bonds (distance) C4'-P energy: -74.482 bonds (distance) P-C4' energy: -72.070 flat angles C4'-P-C4' energy: -65.022 flat angles P-C4'-P energy: -19.109 tors. eta vs tors. theta energy: 10.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1394.553353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.553353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.553353 (E_RNA) where: Base-Base interactions energy: -959.545 where: short stacking energy: -398.603 Base-Backbone interact. energy: -1.913 local terms energy: -433.095661 where: bonds (distance) C4'-P energy: -81.045 bonds (distance) P-C4' energy: -79.501 flat angles C4'-P-C4' energy: -87.928 flat angles P-C4'-P energy: -64.842 tors. eta vs tors. theta energy: -119.780 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: 6 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1357.525344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.525344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.525344 (E_RNA) where: Base-Base interactions energy: -941.354 where: short stacking energy: -404.288 Base-Backbone interact. energy: -1.101 local terms energy: -415.070135 where: bonds (distance) C4'-P energy: -59.087 bonds (distance) P-C4' energy: -82.080 flat angles C4'-P-C4' energy: -93.130 flat angles P-C4'-P energy: -62.187 tors. eta vs tors. theta energy: -118.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1268.055898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.055898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.055898 (E_RNA) where: Base-Base interactions energy: -847.665 where: short stacking energy: -365.629 Base-Backbone interact. energy: -0.520 local terms energy: -419.871171 where: bonds (distance) C4'-P energy: -74.622 bonds (distance) P-C4' energy: -78.924 flat angles C4'-P-C4' energy: -80.442 flat angles P-C4'-P energy: -59.876 tors. eta vs tors. theta energy: -126.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1286.443063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.443063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.443063 (E_RNA) where: Base-Base interactions energy: -908.461 where: short stacking energy: -386.565 Base-Backbone interact. energy: -0.882 local terms energy: -377.099944 where: bonds (distance) C4'-P energy: -66.763 bonds (distance) P-C4' energy: -69.676 flat angles C4'-P-C4' energy: -77.170 flat angles P-C4'-P energy: -56.722 tors. eta vs tors. theta energy: -106.769 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: 2 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1238.370089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.370089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.370089 (E_RNA) where: Base-Base interactions energy: -858.712 where: short stacking energy: -363.100 Base-Backbone interact. energy: -1.803 local terms energy: -377.855053 where: bonds (distance) C4'-P energy: -71.184 bonds (distance) P-C4' energy: -72.492 flat angles C4'-P-C4' energy: -81.504 flat angles P-C4'-P energy: -44.535 tors. eta vs tors. theta energy: -108.141 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: 10 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1090.000588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.000588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.000588 (E_RNA) where: Base-Base interactions energy: -745.270 where: short stacking energy: -336.566 Base-Backbone interact. energy: -1.240 local terms energy: -343.490066 where: bonds (distance) C4'-P energy: -66.724 bonds (distance) P-C4' energy: -46.470 flat angles C4'-P-C4' energy: -87.732 flat angles P-C4'-P energy: -45.174 tors. eta vs tors. theta energy: -97.391 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: 309 Temperature: 1.200000 Total energy: -899.742622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.742622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.742622 (E_RNA) where: Base-Base interactions energy: -597.917 where: short stacking energy: -272.111 Base-Backbone interact. energy: -1.203 local terms energy: -300.622087 where: bonds (distance) C4'-P energy: -64.268 bonds (distance) P-C4' energy: -69.483 flat angles C4'-P-C4' energy: -53.002 flat angles P-C4'-P energy: -47.916 tors. eta vs tors. theta energy: -65.953 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: 9 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -804.892376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.892376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.892376 (E_RNA) where: Base-Base interactions energy: -523.567 where: short stacking energy: -230.778 Base-Backbone interact. energy: 2.008 local terms energy: -283.333669 where: bonds (distance) C4'-P energy: -63.391 bonds (distance) P-C4' energy: -78.332 flat angles C4'-P-C4' energy: -69.205 flat angles P-C4'-P energy: -33.144 tors. eta vs tors. theta energy: -39.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -512.405259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.405259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.405259 (E_RNA) where: Base-Base interactions energy: -282.329 where: short stacking energy: -141.601 Base-Backbone interact. energy: -0.724 local terms energy: -229.352153 where: bonds (distance) C4'-P energy: -56.068 bonds (distance) P-C4' energy: -64.156 flat angles C4'-P-C4' energy: -63.443 flat angles P-C4'-P energy: -36.785 tors. eta vs tors. theta energy: -8.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -342.553044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.553044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.553044 (E_RNA) where: Base-Base interactions energy: -119.683 where: short stacking energy: -102.558 Base-Backbone interact. energy: -1.034 local terms energy: -221.835936 where: bonds (distance) C4'-P energy: -65.918 bonds (distance) P-C4' energy: -71.756 flat angles C4'-P-C4' energy: -57.470 flat angles P-C4'-P energy: -28.927 tors. eta vs tors. theta energy: 2.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1387.564336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.564336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.564336 (E_RNA) where: Base-Base interactions energy: -959.671 where: short stacking energy: -412.070 Base-Backbone interact. energy: -0.798 local terms energy: -427.096067 where: bonds (distance) C4'-P energy: -80.043 bonds (distance) P-C4' energy: -74.141 flat angles C4'-P-C4' energy: -86.451 flat angles P-C4'-P energy: -65.347 tors. eta vs tors. theta energy: -121.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1361.156268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.156268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.156268 (E_RNA) where: Base-Base interactions energy: -922.226 where: short stacking energy: -397.188 Base-Backbone interact. energy: 2.781 local terms energy: -441.710583 where: bonds (distance) C4'-P energy: -78.901 bonds (distance) P-C4' energy: -92.468 flat angles C4'-P-C4' energy: -83.571 flat angles P-C4'-P energy: -63.499 tors. eta vs tors. theta energy: -123.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1319.967426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.967426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.967426 (E_RNA) where: Base-Base interactions energy: -909.972 where: short stacking energy: -387.592 Base-Backbone interact. energy: -1.038 local terms energy: -408.957625 where: bonds (distance) C4'-P energy: -76.440 bonds (distance) P-C4' energy: -77.044 flat angles C4'-P-C4' energy: -90.374 flat angles P-C4'-P energy: -54.357 tors. eta vs tors. theta energy: -110.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1231.832239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.832239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.832239 (E_RNA) where: Base-Base interactions energy: -841.311 where: short stacking energy: -380.852 Base-Backbone interact. energy: -0.147 local terms energy: -390.374787 where: bonds (distance) C4'-P energy: -74.289 bonds (distance) P-C4' energy: -73.086 flat angles C4'-P-C4' energy: -77.739 flat angles P-C4'-P energy: -48.068 tors. eta vs tors. theta energy: -117.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1235.676781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.676781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.676781 (E_RNA) where: Base-Base interactions energy: -857.168 where: short stacking energy: -347.658 Base-Backbone interact. energy: -1.027 local terms energy: -377.482396 where: bonds (distance) C4'-P energy: -70.664 bonds (distance) P-C4' energy: -65.896 flat angles C4'-P-C4' energy: -82.810 flat angles P-C4'-P energy: -58.521 tors. eta vs tors. theta energy: -99.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1066.706957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.706957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.706957 (E_RNA) where: Base-Base interactions energy: -723.997 where: short stacking energy: -321.410 Base-Backbone interact. energy: -0.179 local terms energy: -342.531030 where: bonds (distance) C4'-P energy: -76.904 bonds (distance) P-C4' energy: -64.308 flat angles C4'-P-C4' energy: -69.726 flat angles P-C4'-P energy: -39.875 tors. eta vs tors. theta energy: -91.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -835.616294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.616294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.616294 (E_RNA) where: Base-Base interactions energy: -534.124 where: short stacking energy: -255.126 Base-Backbone interact. energy: 3.558 local terms energy: -305.050363 where: bonds (distance) C4'-P energy: -66.622 bonds (distance) P-C4' energy: -68.147 flat angles C4'-P-C4' energy: -62.947 flat angles P-C4'-P energy: -48.779 tors. eta vs tors. theta energy: -58.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -847.730822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.730822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.730822 (E_RNA) where: Base-Base interactions energy: -549.705 where: short stacking energy: -244.937 Base-Backbone interact. energy: -2.647 local terms energy: -295.378222 where: bonds (distance) C4'-P energy: -49.502 bonds (distance) P-C4' energy: -66.848 flat angles C4'-P-C4' energy: -77.541 flat angles P-C4'-P energy: -49.461 tors. eta vs tors. theta energy: -52.027 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: 5 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -524.174216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.174216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.174216 (E_RNA) where: Base-Base interactions energy: -287.648 where: short stacking energy: -140.847 Base-Backbone interact. energy: 1.464 local terms energy: -237.990334 where: bonds (distance) C4'-P energy: -66.899 bonds (distance) P-C4' energy: -68.854 flat angles C4'-P-C4' energy: -56.651 flat angles P-C4'-P energy: -39.212 tors. eta vs tors. theta energy: -6.374 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: 1 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -328.198332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.198332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.198332 (E_RNA) where: Base-Base interactions energy: -87.433 where: short stacking energy: -73.710 Base-Backbone interact. energy: -0.701 local terms energy: -240.064695 where: bonds (distance) C4'-P energy: -73.837 bonds (distance) P-C4' energy: -84.259 flat angles C4'-P-C4' energy: -65.697 flat angles P-C4'-P energy: -27.248 tors. eta vs tors. theta energy: 10.976 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: 6 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1391.101028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.101028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.101028 (E_RNA) where: Base-Base interactions energy: -960.393 where: short stacking energy: -406.882 Base-Backbone interact. energy: -0.747 local terms energy: -429.960414 where: bonds (distance) C4'-P energy: -76.942 bonds (distance) P-C4' energy: -77.553 flat angles C4'-P-C4' energy: -88.111 flat angles P-C4'-P energy: -66.929 tors. eta vs tors. theta energy: -120.426 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: 4 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1376.235157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.235157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.235157 (E_RNA) where: Base-Base interactions energy: -941.483 where: short stacking energy: -411.563 Base-Backbone interact. energy: -0.824 local terms energy: -433.927927 where: bonds (distance) C4'-P energy: -73.142 bonds (distance) P-C4' energy: -83.029 flat angles C4'-P-C4' energy: -83.740 flat angles P-C4'-P energy: -58.710 tors. eta vs tors. theta energy: -135.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1295.001900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.001900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.001900 (E_RNA) where: Base-Base interactions energy: -890.492 where: short stacking energy: -385.024 Base-Backbone interact. energy: -1.022 local terms energy: -403.488033 where: bonds (distance) C4'-P energy: -83.153 bonds (distance) P-C4' energy: -71.864 flat angles C4'-P-C4' energy: -80.437 flat angles P-C4'-P energy: -56.790 tors. eta vs tors. theta energy: -111.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1257.573983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.573983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.573983 (E_RNA) where: Base-Base interactions energy: -845.258 where: short stacking energy: -373.201 Base-Backbone interact. energy: 2.038 local terms energy: -414.354039 where: bonds (distance) C4'-P energy: -72.860 bonds (distance) P-C4' energy: -73.726 flat angles C4'-P-C4' energy: -91.204 flat angles P-C4'-P energy: -60.556 tors. eta vs tors. theta energy: -116.007 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: 2 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1206.452006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.452006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.452006 (E_RNA) where: Base-Base interactions energy: -830.131 where: short stacking energy: -358.472 Base-Backbone interact. energy: -2.662 local terms energy: -373.658348 where: bonds (distance) C4'-P energy: -69.772 bonds (distance) P-C4' energy: -68.659 flat angles C4'-P-C4' energy: -80.771 flat angles P-C4'-P energy: -52.418 tors. eta vs tors. theta energy: -102.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1072.849101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.849101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.849101 (E_RNA) where: Base-Base interactions energy: -720.486 where: short stacking energy: -309.285 Base-Backbone interact. energy: -2.664 local terms energy: -349.698924 where: bonds (distance) C4'-P energy: -66.726 bonds (distance) P-C4' energy: -65.985 flat angles C4'-P-C4' energy: -82.151 flat angles P-C4'-P energy: -53.219 tors. eta vs tors. theta energy: -81.618 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: 9 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -846.206210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.206210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.206210 (E_RNA) where: Base-Base interactions energy: -540.652 where: short stacking energy: -259.762 Base-Backbone interact. energy: 1.473 local terms energy: -307.027393 where: bonds (distance) C4'-P energy: -67.540 bonds (distance) P-C4' energy: -55.124 flat angles C4'-P-C4' energy: -73.751 flat angles P-C4'-P energy: -49.349 tors. eta vs tors. theta energy: -61.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -840.772730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.772730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.772730 (E_RNA) where: Base-Base interactions energy: -531.928 where: short stacking energy: -250.992 Base-Backbone interact. energy: -0.717 local terms energy: -308.127047 where: bonds (distance) C4'-P energy: -60.655 bonds (distance) P-C4' energy: -75.052 flat angles C4'-P-C4' energy: -73.870 flat angles P-C4'-P energy: -36.876 tors. eta vs tors. theta energy: -61.675 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: 5 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -590.808556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.808556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.808556 (E_RNA) where: Base-Base interactions energy: -323.185 where: short stacking energy: -188.267 Base-Backbone interact. energy: -0.034 local terms energy: -267.589325 where: bonds (distance) C4'-P energy: -55.271 bonds (distance) P-C4' energy: -77.201 flat angles C4'-P-C4' energy: -66.502 flat angles P-C4'-P energy: -34.639 tors. eta vs tors. theta energy: -33.976 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: 1 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -299.789643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.789643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.789643 (E_RNA) where: Base-Base interactions energy: -130.489 where: short stacking energy: -83.501 Base-Backbone interact. energy: -3.058 local terms energy: -166.243134 where: bonds (distance) C4'-P energy: -50.913 bonds (distance) P-C4' energy: -64.187 flat angles C4'-P-C4' energy: -48.546 flat angles P-C4'-P energy: -25.008 tors. eta vs tors. theta energy: 22.411 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: 1, replica: 4 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1389.268216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.268216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.268216 (E_RNA) where: Base-Base interactions energy: -953.693 where: short stacking energy: -404.125 Base-Backbone interact. energy: -2.374 local terms energy: -433.200780 where: bonds (distance) C4'-P energy: -80.901 bonds (distance) P-C4' energy: -85.024 flat angles C4'-P-C4' energy: -86.846 flat angles P-C4'-P energy: -55.068 tors. eta vs tors. theta energy: -125.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1381.130876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.130876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.130876 (E_RNA) where: Base-Base interactions energy: -964.271 where: short stacking energy: -397.316 Base-Backbone interact. energy: -0.787 local terms energy: -416.072317 where: bonds (distance) C4'-P energy: -67.664 bonds (distance) P-C4' energy: -85.353 flat angles C4'-P-C4' energy: -87.925 flat angles P-C4'-P energy: -53.608 tors. eta vs tors. theta energy: -121.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1308.435162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.435162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.435162 (E_RNA) where: Base-Base interactions energy: -904.797 where: short stacking energy: -373.498 Base-Backbone interact. energy: -1.842 local terms energy: -401.795612 where: bonds (distance) C4'-P energy: -80.914 bonds (distance) P-C4' energy: -74.196 flat angles C4'-P-C4' energy: -82.439 flat angles P-C4'-P energy: -61.386 tors. eta vs tors. theta energy: -102.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1265.665397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.665397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.665397 (E_RNA) where: Base-Base interactions energy: -861.759 where: short stacking energy: -377.081 Base-Backbone interact. energy: -0.905 local terms energy: -403.001392 where: bonds (distance) C4'-P energy: -73.555 bonds (distance) P-C4' energy: -68.022 flat angles C4'-P-C4' energy: -85.290 flat angles P-C4'-P energy: -56.179 tors. eta vs tors. theta energy: -119.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1185.004664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.004664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.004664 (E_RNA) where: Base-Base interactions energy: -797.300 where: short stacking energy: -343.607 Base-Backbone interact. energy: 1.827 local terms energy: -389.531686 where: bonds (distance) C4'-P energy: -76.105 bonds (distance) P-C4' energy: -80.992 flat angles C4'-P-C4' energy: -77.044 flat angles P-C4'-P energy: -49.234 tors. eta vs tors. theta energy: -106.156 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: 10 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1116.746079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.746079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.746079 (E_RNA) where: Base-Base interactions energy: -763.022 where: short stacking energy: -346.340 Base-Backbone interact. energy: -0.387 local terms energy: -353.336831 where: bonds (distance) C4'-P energy: -74.322 bonds (distance) P-C4' energy: -65.507 flat angles C4'-P-C4' energy: -62.618 flat angles P-C4'-P energy: -54.492 tors. eta vs tors. theta energy: -96.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -788.106316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.106316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.106316 (E_RNA) where: Base-Base interactions energy: -494.382 where: short stacking energy: -227.836 Base-Backbone interact. energy: -1.993 local terms energy: -291.731011 where: bonds (distance) C4'-P energy: -63.437 bonds (distance) P-C4' energy: -61.205 flat angles C4'-P-C4' energy: -71.330 flat angles P-C4'-P energy: -46.009 tors. eta vs tors. theta energy: -49.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -774.543885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.543885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.543885 (E_RNA) where: Base-Base interactions energy: -482.067 where: short stacking energy: -230.156 Base-Backbone interact. energy: -2.911 local terms energy: -289.566663 where: bonds (distance) C4'-P energy: -72.979 bonds (distance) P-C4' energy: -63.124 flat angles C4'-P-C4' energy: -68.992 flat angles P-C4'-P energy: -44.382 tors. eta vs tors. theta energy: -40.089 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: 9, replica: 5 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -522.287357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.287357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.287357 (E_RNA) where: Base-Base interactions energy: -282.050 where: short stacking energy: -155.250 Base-Backbone interact. energy: -0.568 local terms energy: -239.668924 where: bonds (distance) C4'-P energy: -66.506 bonds (distance) P-C4' energy: -66.581 flat angles C4'-P-C4' energy: -55.693 flat angles P-C4'-P energy: -40.602 tors. eta vs tors. theta energy: -10.287 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: 10, replica: 1 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -311.491122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.491122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.491122 (E_RNA) where: Base-Base interactions energy: -117.649 where: short stacking energy: -87.720 Base-Backbone interact. energy: 5.149 local terms energy: -198.991091 where: bonds (distance) C4'-P energy: -55.502 bonds (distance) P-C4' energy: -60.548 flat angles C4'-P-C4' energy: -62.526 flat angles P-C4'-P energy: -30.376 tors. eta vs tors. theta energy: 9.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1404.964032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.964032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.964032 (E_RNA) where: Base-Base interactions energy: -980.141 where: short stacking energy: -405.070 Base-Backbone interact. energy: -1.052 local terms energy: -423.770666 where: bonds (distance) C4'-P energy: -71.744 bonds (distance) P-C4' energy: -70.538 flat angles C4'-P-C4' energy: -90.946 flat angles P-C4'-P energy: -68.008 tors. eta vs tors. theta energy: -122.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1359.536982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.536982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.536982 (E_RNA) where: Base-Base interactions energy: -941.443 where: short stacking energy: -413.029 Base-Backbone interact. energy: -0.986 local terms energy: -417.107928 where: bonds (distance) C4'-P energy: -69.898 bonds (distance) P-C4' energy: -80.741 flat angles C4'-P-C4' energy: -88.402 flat angles P-C4'-P energy: -57.461 tors. eta vs tors. theta energy: -120.607 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: 313 Temperature: 1.000000 Total energy: -1324.784903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.784903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.784903 (E_RNA) where: Base-Base interactions energy: -929.488 where: short stacking energy: -400.141 Base-Backbone interact. energy: -0.947 local terms energy: -394.349893 where: bonds (distance) C4'-P energy: -65.731 bonds (distance) P-C4' energy: -76.202 flat angles C4'-P-C4' energy: -87.619 flat angles P-C4'-P energy: -56.962 tors. eta vs tors. theta energy: -107.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1255.932740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.932740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.932740 (E_RNA) where: Base-Base interactions energy: -865.848 where: short stacking energy: -402.272 Base-Backbone interact. energy: 1.246 local terms energy: -391.330562 where: bonds (distance) C4'-P energy: -57.552 bonds (distance) P-C4' energy: -76.867 flat angles C4'-P-C4' energy: -84.602 flat angles P-C4'-P energy: -46.777 tors. eta vs tors. theta energy: -125.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1204.852224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.852224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.852224 (E_RNA) where: Base-Base interactions energy: -815.745 where: short stacking energy: -355.156 Base-Backbone interact. energy: -1.002 local terms energy: -388.105092 where: bonds (distance) C4'-P energy: -67.126 bonds (distance) P-C4' energy: -83.942 flat angles C4'-P-C4' energy: -77.247 flat angles P-C4'-P energy: -45.175 tors. eta vs tors. theta energy: -114.616 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: 10 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1117.458480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.458480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.458480 (E_RNA) where: Base-Base interactions energy: -765.860 where: short stacking energy: -320.150 Base-Backbone interact. energy: -2.410 local terms energy: -349.189011 where: bonds (distance) C4'-P energy: -62.864 bonds (distance) P-C4' energy: -63.126 flat angles C4'-P-C4' energy: -85.309 flat angles P-C4'-P energy: -48.080 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: 7, replica: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -822.672662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.672662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.672662 (E_RNA) where: Base-Base interactions energy: -521.802 where: short stacking energy: -242.700 Base-Backbone interact. energy: -2.382 local terms energy: -298.488809 where: bonds (distance) C4'-P energy: -52.851 bonds (distance) P-C4' energy: -78.025 flat angles C4'-P-C4' energy: -75.961 flat angles P-C4'-P energy: -41.138 tors. eta vs tors. theta energy: -50.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -746.187357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.187357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.187357 (E_RNA) where: Base-Base interactions energy: -466.203 where: short stacking energy: -220.117 Base-Backbone interact. energy: -1.385 local terms energy: -278.599839 where: bonds (distance) C4'-P energy: -69.205 bonds (distance) P-C4' energy: -62.948 flat angles C4'-P-C4' energy: -58.819 flat angles P-C4'-P energy: -46.024 tors. eta vs tors. theta energy: -41.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -526.003933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.003933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.003933 (E_RNA) where: Base-Base interactions energy: -304.755 where: short stacking energy: -143.281 Base-Backbone interact. energy: 5.195 local terms energy: -226.444439 where: bonds (distance) C4'-P energy: -50.841 bonds (distance) P-C4' energy: -60.168 flat angles C4'-P-C4' energy: -59.618 flat angles P-C4'-P energy: -42.067 tors. eta vs tors. theta energy: -13.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -298.514511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.514511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.514511 (E_RNA) where: Base-Base interactions energy: -104.854 where: short stacking energy: -79.949 Base-Backbone interact. energy: 0.478 local terms energy: -194.137829 where: bonds (distance) C4'-P energy: -60.577 bonds (distance) P-C4' energy: -56.300 flat angles C4'-P-C4' energy: -53.033 flat angles P-C4'-P energy: -39.015 tors. eta vs tors. theta energy: 14.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1383.866486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.866486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.866486 (E_RNA) where: Base-Base interactions energy: -946.970 where: short stacking energy: -404.487 Base-Backbone interact. energy: -0.934 local terms energy: -435.962836 where: bonds (distance) C4'-P energy: -68.488 bonds (distance) P-C4' energy: -87.182 flat angles C4'-P-C4' energy: -96.205 flat angles P-C4'-P energy: -60.736 tors. eta vs tors. theta energy: -123.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1353.522652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.522652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.522652 (E_RNA) where: Base-Base interactions energy: -957.249 where: short stacking energy: -398.790 Base-Backbone interact. energy: -0.762 local terms energy: -395.511864 where: bonds (distance) C4'-P energy: -68.793 bonds (distance) P-C4' energy: -65.811 flat angles C4'-P-C4' energy: -86.910 flat angles P-C4'-P energy: -58.817 tors. eta vs tors. theta energy: -115.181 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: 7 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1298.908944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.908944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.908944 (E_RNA) where: Base-Base interactions energy: -880.980 where: short stacking energy: -392.569 Base-Backbone interact. energy: 0.017 local terms energy: -417.946603 where: bonds (distance) C4'-P energy: -69.095 bonds (distance) P-C4' energy: -75.940 flat angles C4'-P-C4' energy: -90.396 flat angles P-C4'-P energy: -50.632 tors. eta vs tors. theta energy: -131.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1262.808061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.808061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.808061 (E_RNA) where: Base-Base interactions energy: -857.509 where: short stacking energy: -364.778 Base-Backbone interact. energy: -2.210 local terms energy: -403.089990 where: bonds (distance) C4'-P energy: -67.486 bonds (distance) P-C4' energy: -80.338 flat angles C4'-P-C4' energy: -87.931 flat angles P-C4'-P energy: -62.386 tors. eta vs tors. theta energy: -104.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1188.634558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.634558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.634558 (E_RNA) where: Base-Base interactions energy: -809.383 where: short stacking energy: -362.188 Base-Backbone interact. energy: 1.519 local terms energy: -380.769807 where: bonds (distance) C4'-P energy: -70.993 bonds (distance) P-C4' energy: -66.122 flat angles C4'-P-C4' energy: -83.817 flat angles P-C4'-P energy: -54.907 tors. eta vs tors. theta energy: -104.930 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: 10 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1082.891944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.891944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.891944 (E_RNA) where: Base-Base interactions energy: -741.327 where: short stacking energy: -329.766 Base-Backbone interact. energy: -0.933 local terms energy: -340.631292 where: bonds (distance) C4'-P energy: -68.833 bonds (distance) P-C4' energy: -71.173 flat angles C4'-P-C4' energy: -67.306 flat angles P-C4'-P energy: -52.669 tors. eta vs tors. theta energy: -80.651 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: 7, replica: 9 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -778.907270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.907270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.907270 (E_RNA) where: Base-Base interactions energy: -482.884 where: short stacking energy: -248.399 Base-Backbone interact. energy: -1.712 local terms energy: -294.310755 where: bonds (distance) C4'-P energy: -64.806 bonds (distance) P-C4' energy: -73.123 flat angles C4'-P-C4' energy: -59.565 flat angles P-C4'-P energy: -43.637 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: 314 Temperature: 1.250000 Total energy: -802.147788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.147788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.147788 (E_RNA) where: Base-Base interactions energy: -512.832 where: short stacking energy: -215.489 Base-Backbone interact. energy: -0.813 local terms energy: -288.503365 where: bonds (distance) C4'-P energy: -69.896 bonds (distance) P-C4' energy: -62.997 flat angles C4'-P-C4' energy: -58.684 flat angles P-C4'-P energy: -49.382 tors. eta vs tors. theta energy: -47.545 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: 5 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -520.995861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.995861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.995861 (E_RNA) where: Base-Base interactions energy: -282.212 where: short stacking energy: -162.381 Base-Backbone interact. energy: -1.497 local terms energy: -237.287023 where: bonds (distance) C4'-P energy: -60.403 bonds (distance) P-C4' energy: -68.355 flat angles C4'-P-C4' energy: -68.584 flat angles P-C4'-P energy: -40.769 tors. eta vs tors. theta energy: 0.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -338.822830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.822830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.822830 (E_RNA) where: Base-Base interactions energy: -152.309 where: short stacking energy: -104.268 Base-Backbone interact. energy: 2.820 local terms energy: -189.333906 where: bonds (distance) C4'-P energy: -61.643 bonds (distance) P-C4' energy: -68.442 flat angles C4'-P-C4' energy: -59.854 flat angles P-C4'-P energy: -11.642 tors. eta vs tors. theta energy: 12.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1382.074734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.074734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.074734 (E_RNA) where: Base-Base interactions energy: -948.299 where: short stacking energy: -405.413 Base-Backbone interact. energy: -0.875 local terms energy: -432.901404 where: bonds (distance) C4'-P energy: -75.769 bonds (distance) P-C4' energy: -82.020 flat angles C4'-P-C4' energy: -94.746 flat angles P-C4'-P energy: -53.074 tors. eta vs tors. theta energy: -127.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1372.893613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.893613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.893613 (E_RNA) where: Base-Base interactions energy: -944.086 where: short stacking energy: -419.480 Base-Backbone interact. energy: -1.043 local terms energy: -427.763984 where: bonds (distance) C4'-P energy: -76.341 bonds (distance) P-C4' energy: -64.071 flat angles C4'-P-C4' energy: -95.568 flat angles P-C4'-P energy: -63.454 tors. eta vs tors. theta energy: -128.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1289.588154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.588154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.588154 (E_RNA) where: Base-Base interactions energy: -890.250 where: short stacking energy: -402.894 Base-Backbone interact. energy: -2.086 local terms energy: -397.252263 where: bonds (distance) C4'-P energy: -61.415 bonds (distance) P-C4' energy: -79.010 flat angles C4'-P-C4' energy: -83.327 flat angles P-C4'-P energy: -55.081 tors. eta vs tors. theta energy: -118.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1270.425432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.425432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.425432 (E_RNA) where: Base-Base interactions energy: -886.876 where: short stacking energy: -381.163 Base-Backbone interact. energy: -1.013 local terms energy: -382.536142 where: bonds (distance) C4'-P energy: -73.850 bonds (distance) P-C4' energy: -52.844 flat angles C4'-P-C4' energy: -85.481 flat angles P-C4'-P energy: -57.287 tors. eta vs tors. theta energy: -113.074 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: 315 Temperature: 1.100000 Total energy: -1175.760627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.760627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.760627 (E_RNA) where: Base-Base interactions energy: -796.892 where: short stacking energy: -349.408 Base-Backbone interact. energy: -1.648 local terms energy: -377.220783 where: bonds (distance) C4'-P energy: -70.495 bonds (distance) P-C4' energy: -72.427 flat angles C4'-P-C4' energy: -78.901 flat angles P-C4'-P energy: -47.526 tors. eta vs tors. theta energy: -107.871 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: 6, replica: 10 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1091.415484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.415484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.415484 (E_RNA) where: Base-Base interactions energy: -743.766 where: short stacking energy: -319.362 Base-Backbone interact. energy: -1.144 local terms energy: -346.504912 where: bonds (distance) C4'-P energy: -69.723 bonds (distance) P-C4' energy: -66.066 flat angles C4'-P-C4' energy: -70.637 flat angles P-C4'-P energy: -59.668 tors. eta vs tors. theta energy: -80.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -822.190394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.190394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.190394 (E_RNA) where: Base-Base interactions energy: -518.676 where: short stacking energy: -216.359 Base-Backbone interact. energy: 0.962 local terms energy: -304.476069 where: bonds (distance) C4'-P energy: -66.515 bonds (distance) P-C4' energy: -75.283 flat angles C4'-P-C4' energy: -68.393 flat angles P-C4'-P energy: -47.161 tors. eta vs tors. theta energy: -47.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -770.282325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.282325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.282325 (E_RNA) where: Base-Base interactions energy: -499.852 where: short stacking energy: -227.045 Base-Backbone interact. energy: -0.553 local terms energy: -269.877051 where: bonds (distance) C4'-P energy: -64.772 bonds (distance) P-C4' energy: -53.925 flat angles C4'-P-C4' energy: -61.430 flat angles P-C4'-P energy: -40.853 tors. eta vs tors. theta energy: -48.897 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: 5 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -586.065026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.065026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.065026 (E_RNA) where: Base-Base interactions energy: -328.995 where: short stacking energy: -158.710 Base-Backbone interact. energy: -1.308 local terms energy: -255.761755 where: bonds (distance) C4'-P energy: -63.803 bonds (distance) P-C4' energy: -70.780 flat angles C4'-P-C4' energy: -60.535 flat angles P-C4'-P energy: -36.337 tors. eta vs tors. theta energy: -24.307 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: 315 Temperature: 1.350000 Total energy: -310.110648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.110648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.110648 (E_RNA) where: Base-Base interactions energy: -104.530 where: short stacking energy: -90.259 Base-Backbone interact. energy: -0.997 local terms energy: -204.584006 where: bonds (distance) C4'-P energy: -69.190 bonds (distance) P-C4' energy: -64.360 flat angles C4'-P-C4' energy: -56.946 flat angles P-C4'-P energy: -34.080 tors. eta vs tors. theta energy: 19.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1399.637432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.637432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.637432 (E_RNA) where: Base-Base interactions energy: -961.826 where: short stacking energy: -423.049 Base-Backbone interact. energy: -2.087 local terms energy: -435.724231 where: bonds (distance) C4'-P energy: -70.389 bonds (distance) P-C4' energy: -85.832 flat angles C4'-P-C4' energy: -89.444 flat angles P-C4'-P energy: -65.180 tors. eta vs tors. theta energy: -124.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1351.734508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.734508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.734508 (E_RNA) where: Base-Base interactions energy: -930.527 where: short stacking energy: -387.880 Base-Backbone interact. energy: -1.051 local terms energy: -420.156067 where: bonds (distance) C4'-P energy: -84.799 bonds (distance) P-C4' energy: -70.643 flat angles C4'-P-C4' energy: -84.357 flat angles P-C4'-P energy: -63.227 tors. eta vs tors. theta energy: -117.130 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: 3, replica: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1319.781761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.781761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.781761 (E_RNA) where: Base-Base interactions energy: -908.079 where: short stacking energy: -388.151 Base-Backbone interact. energy: -2.621 local terms energy: -409.080826 where: bonds (distance) C4'-P energy: -68.542 bonds (distance) P-C4' energy: -78.903 flat angles C4'-P-C4' energy: -86.579 flat angles P-C4'-P energy: -60.922 tors. eta vs tors. theta energy: -114.134 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: 7 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1239.909692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.909692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.909692 (E_RNA) where: Base-Base interactions energy: -839.032 where: short stacking energy: -383.871 Base-Backbone interact. energy: -0.762 local terms energy: -400.116046 where: bonds (distance) C4'-P energy: -58.419 bonds (distance) P-C4' energy: -72.252 flat angles C4'-P-C4' energy: -83.935 flat angles P-C4'-P energy: -57.700 tors. eta vs tors. theta energy: -127.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1152.812450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.812450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.812450 (E_RNA) where: Base-Base interactions energy: -793.433 where: short stacking energy: -336.881 Base-Backbone interact. energy: 4.332 local terms energy: -363.711173 where: bonds (distance) C4'-P energy: -61.295 bonds (distance) P-C4' energy: -82.242 flat angles C4'-P-C4' energy: -80.820 flat angles P-C4'-P energy: -47.216 tors. eta vs tors. theta energy: -92.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1104.767054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.767054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.767054 (E_RNA) where: Base-Base interactions energy: -750.477 where: short stacking energy: -337.479 Base-Backbone interact. energy: 0.693 local terms energy: -354.983151 where: bonds (distance) C4'-P energy: -69.673 bonds (distance) P-C4' energy: -69.873 flat angles C4'-P-C4' energy: -82.870 flat angles P-C4'-P energy: -42.772 tors. eta vs tors. theta energy: -89.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -829.734291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.734291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.734291 (E_RNA) where: Base-Base interactions energy: -516.890 where: short stacking energy: -248.975 Base-Backbone interact. energy: -2.729 local terms energy: -310.116035 where: bonds (distance) C4'-P energy: -70.521 bonds (distance) P-C4' energy: -52.069 flat angles C4'-P-C4' energy: -65.262 flat angles P-C4'-P energy: -55.517 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: 8, replica: 8 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -749.098110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.098110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.098110 (E_RNA) where: Base-Base interactions energy: -486.454 where: short stacking energy: -219.754 Base-Backbone interact. energy: 3.422 local terms energy: -266.065936 where: bonds (distance) C4'-P energy: -60.512 bonds (distance) P-C4' energy: -58.844 flat angles C4'-P-C4' energy: -73.053 flat angles P-C4'-P energy: -41.437 tors. eta vs tors. theta energy: -32.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -605.726880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.726880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.726880 (E_RNA) where: Base-Base interactions energy: -359.404 where: short stacking energy: -189.107 Base-Backbone interact. energy: -1.926 local terms energy: -244.396486 where: bonds (distance) C4'-P energy: -46.370 bonds (distance) P-C4' energy: -67.635 flat angles C4'-P-C4' energy: -44.537 flat angles P-C4'-P energy: -40.352 tors. eta vs tors. theta energy: -45.502 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: 1 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -357.769514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.769514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.769514 (E_RNA) where: Base-Base interactions energy: -159.227 where: short stacking energy: -91.934 Base-Backbone interact. energy: 7.765 local terms energy: -206.307094 where: bonds (distance) C4'-P energy: -75.051 bonds (distance) P-C4' energy: -71.740 flat angles C4'-P-C4' energy: -54.609 flat angles P-C4'-P energy: -14.718 tors. eta vs tors. theta energy: 9.810 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: 4 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1404.798572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.798572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.798572 (E_RNA) where: Base-Base interactions energy: -970.438 where: short stacking energy: -422.789 Base-Backbone interact. energy: -0.556 local terms energy: -433.804933 where: bonds (distance) C4'-P energy: -68.924 bonds (distance) P-C4' energy: -86.693 flat angles C4'-P-C4' energy: -86.092 flat angles P-C4'-P energy: -64.493 tors. eta vs tors. theta energy: -127.603 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: 317 Temperature: 0.950000 Total energy: -1354.390123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.390123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.390123 (E_RNA) where: Base-Base interactions energy: -937.727 where: short stacking energy: -431.039 Base-Backbone interact. energy: -2.058 local terms energy: -414.605268 where: bonds (distance) C4'-P energy: -74.526 bonds (distance) P-C4' energy: -78.717 flat angles C4'-P-C4' energy: -85.781 flat angles P-C4'-P energy: -52.008 tors. eta vs tors. theta energy: -123.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1343.812103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.812103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.812103 (E_RNA) where: Base-Base interactions energy: -933.899 where: short stacking energy: -400.252 Base-Backbone interact. energy: -0.563 local terms energy: -409.350414 where: bonds (distance) C4'-P energy: -73.591 bonds (distance) P-C4' energy: -75.543 flat angles C4'-P-C4' energy: -86.646 flat angles P-C4'-P energy: -60.459 tors. eta vs tors. theta energy: -113.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1284.377985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.377985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.377985 (E_RNA) where: Base-Base interactions energy: -890.940 where: short stacking energy: -410.291 Base-Backbone interact. energy: -0.623 local terms energy: -392.814270 where: bonds (distance) C4'-P energy: -66.545 bonds (distance) P-C4' energy: -72.166 flat angles C4'-P-C4' energy: -84.386 flat angles P-C4'-P energy: -45.644 tors. eta vs tors. theta energy: -124.074 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: 317 Temperature: 1.100000 Total energy: -1165.774951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.774951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.774951 (E_RNA) where: Base-Base interactions energy: -789.098 where: short stacking energy: -350.666 Base-Backbone interact. energy: -1.146 local terms energy: -375.531162 where: bonds (distance) C4'-P energy: -71.704 bonds (distance) P-C4' energy: -63.849 flat angles C4'-P-C4' energy: -85.548 flat angles P-C4'-P energy: -49.652 tors. eta vs tors. theta energy: -104.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1062.097023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.097023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.097023 (E_RNA) where: Base-Base interactions energy: -743.276 where: short stacking energy: -308.468 Base-Backbone interact. energy: -1.296 local terms energy: -317.525026 where: bonds (distance) C4'-P energy: -59.864 bonds (distance) P-C4' energy: -62.514 flat angles C4'-P-C4' energy: -66.563 flat angles P-C4'-P energy: -45.518 tors. eta vs tors. theta energy: -83.065 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: 9 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -803.366296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.366296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.366296 (E_RNA) where: Base-Base interactions energy: -491.645 where: short stacking energy: -233.078 Base-Backbone interact. energy: -3.731 local terms energy: -307.989418 where: bonds (distance) C4'-P energy: -64.704 bonds (distance) P-C4' energy: -60.952 flat angles C4'-P-C4' energy: -79.440 flat angles P-C4'-P energy: -48.094 tors. eta vs tors. theta energy: -54.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -614.783992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.783992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.783992 (E_RNA) where: Base-Base interactions energy: -344.323 where: short stacking energy: -176.848 Base-Backbone interact. energy: -1.050 local terms energy: -269.410116 where: bonds (distance) C4'-P energy: -61.744 bonds (distance) P-C4' energy: -66.639 flat angles C4'-P-C4' energy: -71.801 flat angles P-C4'-P energy: -42.864 tors. eta vs tors. theta energy: -26.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -758.428821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.428821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.428821 (E_RNA) where: Base-Base interactions energy: -471.460 where: short stacking energy: -212.209 Base-Backbone interact. energy: -1.131 local terms energy: -285.838629 where: bonds (distance) C4'-P energy: -55.516 bonds (distance) P-C4' energy: -68.389 flat angles C4'-P-C4' energy: -66.600 flat angles P-C4'-P energy: -43.843 tors. eta vs tors. theta energy: -51.490 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: 1 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -329.139703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.139703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.139703 (E_RNA) where: Base-Base interactions energy: -100.748 where: short stacking energy: -83.267 Base-Backbone interact. energy: 1.569 local terms energy: -229.961593 where: bonds (distance) C4'-P energy: -66.664 bonds (distance) P-C4' energy: -73.356 flat angles C4'-P-C4' energy: -57.892 flat angles P-C4'-P energy: -35.527 tors. eta vs tors. theta energy: 3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1395.618658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.618658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.618658 (E_RNA) where: Base-Base interactions energy: -961.056 where: short stacking energy: -415.464 Base-Backbone interact. energy: -0.313 local terms energy: -434.248889 where: bonds (distance) C4'-P energy: -80.385 bonds (distance) P-C4' energy: -73.452 flat angles C4'-P-C4' energy: -90.205 flat angles P-C4'-P energy: -67.019 tors. eta vs tors. theta energy: -123.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1338.438042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.438042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.438042 (E_RNA) where: Base-Base interactions energy: -920.892 where: short stacking energy: -405.848 Base-Backbone interact. energy: -2.342 local terms energy: -415.204222 where: bonds (distance) C4'-P energy: -79.272 bonds (distance) P-C4' energy: -80.254 flat angles C4'-P-C4' energy: -78.319 flat angles P-C4'-P energy: -61.757 tors. eta vs tors. theta energy: -115.603 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: 6 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1330.170109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.170109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.170109 (E_RNA) where: Base-Base interactions energy: -906.550 where: short stacking energy: -378.866 Base-Backbone interact. energy: -2.166 local terms energy: -421.453901 where: bonds (distance) C4'-P energy: -79.242 bonds (distance) P-C4' energy: -74.579 flat angles C4'-P-C4' energy: -87.881 flat angles P-C4'-P energy: -69.721 tors. eta vs tors. theta energy: -110.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1259.924146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.924146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.924146 (E_RNA) where: Base-Base interactions energy: -849.576 where: short stacking energy: -393.242 Base-Backbone interact. energy: -0.315 local terms energy: -410.032964 where: bonds (distance) C4'-P energy: -64.980 bonds (distance) P-C4' energy: -74.020 flat angles C4'-P-C4' energy: -86.419 flat angles P-C4'-P energy: -56.959 tors. eta vs tors. theta energy: -127.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1183.832498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.832498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.832498 (E_RNA) where: Base-Base interactions energy: -798.283 where: short stacking energy: -351.989 Base-Backbone interact. energy: -1.852 local terms energy: -383.697222 where: bonds (distance) C4'-P energy: -71.455 bonds (distance) P-C4' energy: -72.197 flat angles C4'-P-C4' energy: -78.619 flat angles P-C4'-P energy: -58.825 tors. eta vs tors. theta energy: -102.602 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: 10 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1096.859820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.859820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.859820 (E_RNA) where: Base-Base interactions energy: -758.743 where: short stacking energy: -322.557 Base-Backbone interact. energy: -1.366 local terms energy: -336.749904 where: bonds (distance) C4'-P energy: -57.357 bonds (distance) P-C4' energy: -68.850 flat angles C4'-P-C4' energy: -79.143 flat angles P-C4'-P energy: -57.454 tors. eta vs tors. theta energy: -73.946 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: 9 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -841.071378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.071378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.071378 (E_RNA) where: Base-Base interactions energy: -530.377 where: short stacking energy: -227.314 Base-Backbone interact. energy: 1.776 local terms energy: -312.471355 where: bonds (distance) C4'-P energy: -72.307 bonds (distance) P-C4' energy: -79.899 flat angles C4'-P-C4' energy: -70.540 flat angles P-C4'-P energy: -36.353 tors. eta vs tors. theta energy: -53.372 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: 5 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -702.111841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.111841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.111841 (E_RNA) where: Base-Base interactions energy: -431.361 where: short stacking energy: -228.285 Base-Backbone interact. energy: 0.884 local terms energy: -271.634225 where: bonds (distance) C4'-P energy: -65.036 bonds (distance) P-C4' energy: -68.889 flat angles C4'-P-C4' energy: -62.502 flat angles P-C4'-P energy: -31.021 tors. eta vs tors. theta energy: -44.187 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: 8 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -660.357827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.357827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.357827 (E_RNA) where: Base-Base interactions energy: -398.433 where: short stacking energy: -194.778 Base-Backbone interact. energy: -0.307 local terms energy: -261.617100 where: bonds (distance) C4'-P energy: -63.265 bonds (distance) P-C4' energy: -66.096 flat angles C4'-P-C4' energy: -60.554 flat angles P-C4'-P energy: -40.209 tors. eta vs tors. theta energy: -31.493 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: 1 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -344.743431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.743431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.743431 (E_RNA) where: Base-Base interactions energy: -115.103 where: short stacking energy: -103.510 Base-Backbone interact. energy: 3.661 local terms energy: -233.300926 where: bonds (distance) C4'-P energy: -72.577 bonds (distance) P-C4' energy: -75.378 flat angles C4'-P-C4' energy: -71.099 flat angles P-C4'-P energy: -25.155 tors. eta vs tors. theta energy: 10.907 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: 319 Temperature: 0.900000 Total energy: -1390.280032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.280032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.280032 (E_RNA) where: Base-Base interactions energy: -958.558 where: short stacking energy: -397.606 Base-Backbone interact. energy: 0.009 local terms energy: -431.731091 where: bonds (distance) C4'-P energy: -75.974 bonds (distance) P-C4' energy: -86.587 flat angles C4'-P-C4' energy: -84.310 flat angles P-C4'-P energy: -57.927 tors. eta vs tors. theta energy: -126.933 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: 2, replica: 3 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1373.639570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.639570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.639570 (E_RNA) where: Base-Base interactions energy: -952.093 where: short stacking energy: -412.416 Base-Backbone interact. energy: -2.143 local terms energy: -419.403491 where: bonds (distance) C4'-P energy: -76.134 bonds (distance) P-C4' energy: -76.521 flat angles C4'-P-C4' energy: -93.300 flat angles P-C4'-P energy: -61.203 tors. eta vs tors. theta energy: -112.246 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: 6 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1323.921952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.921952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.921952 (E_RNA) where: Base-Base interactions energy: -916.593 where: short stacking energy: -411.828 Base-Backbone interact. energy: 2.824 local terms energy: -410.153223 where: bonds (distance) C4'-P energy: -80.383 bonds (distance) P-C4' energy: -82.226 flat angles C4'-P-C4' energy: -79.372 flat angles P-C4'-P energy: -44.851 tors. eta vs tors. theta energy: -123.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1226.456498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.456498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.456498 (E_RNA) where: Base-Base interactions energy: -844.837 where: short stacking energy: -367.890 Base-Backbone interact. energy: -3.040 local terms energy: -378.579860 where: bonds (distance) C4'-P energy: -68.847 bonds (distance) P-C4' energy: -77.344 flat angles C4'-P-C4' energy: -77.642 flat angles P-C4'-P energy: -56.276 tors. eta vs tors. theta energy: -98.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1206.274953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.274953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.274953 (E_RNA) where: Base-Base interactions energy: -832.451 where: short stacking energy: -370.804 Base-Backbone interact. energy: -1.991 local terms energy: -371.833411 where: bonds (distance) C4'-P energy: -73.422 bonds (distance) P-C4' energy: -55.314 flat angles C4'-P-C4' energy: -81.306 flat angles P-C4'-P energy: -51.122 tors. eta vs tors. theta energy: -110.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1092.403477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.403477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.403477 (E_RNA) where: Base-Base interactions energy: -763.514 where: short stacking energy: -343.045 Base-Backbone interact. energy: -1.981 local terms energy: -326.908154 where: bonds (distance) C4'-P energy: -54.139 bonds (distance) P-C4' energy: -57.614 flat angles C4'-P-C4' energy: -75.651 flat angles P-C4'-P energy: -51.568 tors. eta vs tors. theta energy: -87.936 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: 9 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -836.578772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.578772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.578772 (E_RNA) where: Base-Base interactions energy: -519.333 where: short stacking energy: -273.844 Base-Backbone interact. energy: 0.772 local terms energy: -318.017694 where: bonds (distance) C4'-P energy: -71.822 bonds (distance) P-C4' energy: -67.396 flat angles C4'-P-C4' energy: -82.364 flat angles P-C4'-P energy: -28.792 tors. eta vs tors. theta energy: -67.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -718.246451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.246451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.246451 (E_RNA) where: Base-Base interactions energy: -448.164 where: short stacking energy: -206.664 Base-Backbone interact. energy: -0.004 local terms energy: -270.079008 where: bonds (distance) C4'-P energy: -62.306 bonds (distance) P-C4' energy: -70.018 flat angles C4'-P-C4' energy: -62.717 flat angles P-C4'-P energy: -34.741 tors. eta vs tors. theta energy: -40.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -656.273552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.273552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.273552 (E_RNA) where: Base-Base interactions energy: -388.537 where: short stacking energy: -199.224 Base-Backbone interact. energy: 1.821 local terms energy: -269.558022 where: bonds (distance) C4'-P energy: -51.886 bonds (distance) P-C4' energy: -69.770 flat angles C4'-P-C4' energy: -65.003 flat angles P-C4'-P energy: -48.113 tors. eta vs tors. theta energy: -34.786 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: 1 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -338.582654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.582654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.582654 (E_RNA) where: Base-Base interactions energy: -121.713 where: short stacking energy: -68.693 Base-Backbone interact. energy: 0.333 local terms energy: -217.202276 where: bonds (distance) C4'-P energy: -59.408 bonds (distance) P-C4' energy: -65.613 flat angles C4'-P-C4' energy: -65.468 flat angles P-C4'-P energy: -40.920 tors. eta vs tors. theta energy: 14.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1393.711075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.711075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.711075 (E_RNA) where: Base-Base interactions energy: -954.735 where: short stacking energy: -413.970 Base-Backbone interact. energy: -1.288 local terms energy: -437.687734 where: bonds (distance) C4'-P energy: -78.629 bonds (distance) P-C4' energy: -75.750 flat angles C4'-P-C4' energy: -95.468 flat angles P-C4'-P energy: -59.567 tors. eta vs tors. theta energy: -128.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1325.425705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.425705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.425705 (E_RNA) where: Base-Base interactions energy: -931.645 where: short stacking energy: -397.185 Base-Backbone interact. energy: -2.313 local terms energy: -391.468144 where: bonds (distance) C4'-P energy: -67.236 bonds (distance) P-C4' energy: -72.384 flat angles C4'-P-C4' energy: -95.489 flat angles P-C4'-P energy: -46.584 tors. eta vs tors. theta energy: -109.776 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: 6 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1324.105168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.105168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.105168 (E_RNA) where: Base-Base interactions energy: -910.603 where: short stacking energy: -401.718 Base-Backbone interact. energy: -1.968 local terms energy: -411.533387 where: bonds (distance) C4'-P energy: -68.103 bonds (distance) P-C4' energy: -74.572 flat angles C4'-P-C4' energy: -91.195 flat angles P-C4'-P energy: -55.486 tors. eta vs tors. theta energy: -122.177 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: 320 Temperature: 1.050000 Total energy: -1248.966257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.966257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.966257 (E_RNA) where: Base-Base interactions energy: -837.084 where: short stacking energy: -355.592 Base-Backbone interact. energy: -0.786 local terms energy: -411.096932 where: bonds (distance) C4'-P energy: -70.179 bonds (distance) P-C4' energy: -89.217 flat angles C4'-P-C4' energy: -83.032 flat angles P-C4'-P energy: -56.718 tors. eta vs tors. theta energy: -111.950 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: 5, replica: 7 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1241.626720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.626720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.626720 (E_RNA) where: Base-Base interactions energy: -838.369 where: short stacking energy: -378.742 Base-Backbone interact. energy: -0.538 local terms energy: -402.719931 where: bonds (distance) C4'-P energy: -79.107 bonds (distance) P-C4' energy: -74.611 flat angles C4'-P-C4' energy: -80.552 flat angles P-C4'-P energy: -50.513 tors. eta vs tors. theta energy: -117.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1137.036577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.036577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.036577 (E_RNA) where: Base-Base interactions energy: -777.892 where: short stacking energy: -340.411 Base-Backbone interact. energy: -0.631 local terms energy: -358.513614 where: bonds (distance) C4'-P energy: -77.505 bonds (distance) P-C4' energy: -69.452 flat angles C4'-P-C4' energy: -80.005 flat angles P-C4'-P energy: -44.473 tors. eta vs tors. theta energy: -87.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -770.253009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.253009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.253009 (E_RNA) where: Base-Base interactions energy: -487.424 where: short stacking energy: -212.821 Base-Backbone interact. energy: -2.317 local terms energy: -280.511783 where: bonds (distance) C4'-P energy: -60.387 bonds (distance) P-C4' energy: -76.716 flat angles C4'-P-C4' energy: -52.284 flat angles P-C4'-P energy: -32.125 tors. eta vs tors. theta energy: -59.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -726.317295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.317295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.317295 (E_RNA) where: Base-Base interactions energy: -457.342 where: short stacking energy: -193.789 Base-Backbone interact. energy: 1.072 local terms energy: -270.046814 where: bonds (distance) C4'-P energy: -61.304 bonds (distance) P-C4' energy: -74.942 flat angles C4'-P-C4' energy: -61.713 flat angles P-C4'-P energy: -40.873 tors. eta vs tors. theta energy: -31.215 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: 9, replica: 5 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -659.772755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.772755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.772755 (E_RNA) where: Base-Base interactions energy: -391.481 where: short stacking energy: -185.077 Base-Backbone interact. energy: -0.763 local terms energy: -267.528489 where: bonds (distance) C4'-P energy: -53.815 bonds (distance) P-C4' energy: -77.219 flat angles C4'-P-C4' energy: -66.459 flat angles P-C4'-P energy: -31.707 tors. eta vs tors. theta energy: -38.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -327.234248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.234248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.234248 (E_RNA) where: Base-Base interactions energy: -117.610 where: short stacking energy: -86.302 Base-Backbone interact. energy: -1.758 local terms energy: -207.866215 where: bonds (distance) C4'-P energy: -60.049 bonds (distance) P-C4' energy: -78.539 flat angles C4'-P-C4' energy: -47.845 flat angles P-C4'-P energy: -31.489 tors. eta vs tors. theta energy: 10.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1383.713341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.713341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.713341 (E_RNA) where: Base-Base interactions energy: -945.265 where: short stacking energy: -410.384 Base-Backbone interact. energy: -1.400 local terms energy: -437.048747 where: bonds (distance) C4'-P energy: -80.965 bonds (distance) P-C4' energy: -76.951 flat angles C4'-P-C4' energy: -96.994 flat angles P-C4'-P energy: -56.175 tors. eta vs tors. theta energy: -125.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1350.222813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.222813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.222813 (E_RNA) where: Base-Base interactions energy: -940.922 where: short stacking energy: -400.986 Base-Backbone interact. energy: -1.719 local terms energy: -407.581598 where: bonds (distance) C4'-P energy: -78.294 bonds (distance) P-C4' energy: -76.206 flat angles C4'-P-C4' energy: -78.605 flat angles P-C4'-P energy: -52.885 tors. eta vs tors. theta energy: -121.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1278.938432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.938432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.938432 (E_RNA) where: Base-Base interactions energy: -878.052 where: short stacking energy: -397.034 Base-Backbone interact. energy: -0.218 local terms energy: -400.668650 where: bonds (distance) C4'-P energy: -76.977 bonds (distance) P-C4' energy: -71.762 flat angles C4'-P-C4' energy: -85.039 flat angles P-C4'-P energy: -53.466 tors. eta vs tors. theta energy: -113.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1242.197257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.197257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.197257 (E_RNA) where: Base-Base interactions energy: -866.036 where: short stacking energy: -396.064 Base-Backbone interact. energy: -1.437 local terms energy: -374.724900 where: bonds (distance) C4'-P energy: -50.767 bonds (distance) P-C4' energy: -73.840 flat angles C4'-P-C4' energy: -80.516 flat angles P-C4'-P energy: -54.623 tors. eta vs tors. theta energy: -114.980 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: 7 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1210.258254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.258254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.258254 (E_RNA) where: Base-Base interactions energy: -825.631 where: short stacking energy: -368.877 Base-Backbone interact. energy: -1.942 local terms energy: -382.685133 where: bonds (distance) C4'-P energy: -64.689 bonds (distance) P-C4' energy: -78.349 flat angles C4'-P-C4' energy: -82.206 flat angles P-C4'-P energy: -42.405 tors. eta vs tors. theta energy: -115.036 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: 10 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1116.326226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.326226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.326226 (E_RNA) where: Base-Base interactions energy: -786.050 where: short stacking energy: -331.239 Base-Backbone interact. energy: -1.221 local terms energy: -329.055255 where: bonds (distance) C4'-P energy: -60.868 bonds (distance) P-C4' energy: -72.605 flat angles C4'-P-C4' energy: -71.714 flat angles P-C4'-P energy: -41.273 tors. eta vs tors. theta energy: -82.595 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: 9 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -715.524595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.524595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.524595 (E_RNA) where: Base-Base interactions energy: -424.485 where: short stacking energy: -204.686 Base-Backbone interact. energy: 0.522 local terms energy: -291.561506 where: bonds (distance) C4'-P energy: -66.754 bonds (distance) P-C4' energy: -74.569 flat angles C4'-P-C4' energy: -70.722 flat angles P-C4'-P energy: -52.339 tors. eta vs tors. theta energy: -27.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -730.055383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.055383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.055383 (E_RNA) where: Base-Base interactions energy: -438.791 where: short stacking energy: -206.239 Base-Backbone interact. energy: 0.202 local terms energy: -291.466554 where: bonds (distance) C4'-P energy: -66.986 bonds (distance) P-C4' energy: -70.236 flat angles C4'-P-C4' energy: -73.481 flat angles P-C4'-P energy: -37.721 tors. eta vs tors. theta energy: -43.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -664.885308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.885308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.885308 (E_RNA) where: Base-Base interactions energy: -424.848 where: short stacking energy: -182.514 Base-Backbone interact. energy: 1.202 local terms energy: -241.239510 where: bonds (distance) C4'-P energy: -51.060 bonds (distance) P-C4' energy: -62.890 flat angles C4'-P-C4' energy: -65.308 flat angles P-C4'-P energy: -37.617 tors. eta vs tors. theta energy: -24.365 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: 10, replica: 1 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -325.430789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.430789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.430789 (E_RNA) where: Base-Base interactions energy: -103.332 where: short stacking energy: -80.441 Base-Backbone interact. energy: -0.991 local terms energy: -221.107652 where: bonds (distance) C4'-P energy: -57.904 bonds (distance) P-C4' energy: -74.863 flat angles C4'-P-C4' energy: -68.215 flat angles P-C4'-P energy: -21.626 tors. eta vs tors. theta energy: 1.501 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: 4 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1386.195075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.195075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.195075 (E_RNA) where: Base-Base interactions energy: -939.322 where: short stacking energy: -411.884 Base-Backbone interact. energy: -2.506 local terms energy: -444.366361 where: bonds (distance) C4'-P energy: -64.172 bonds (distance) P-C4' energy: -84.839 flat angles C4'-P-C4' energy: -94.364 flat angles P-C4'-P energy: -67.030 tors. eta vs tors. theta energy: -133.962 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: 2, replica: 3 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1374.775477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.775477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.775477 (E_RNA) where: Base-Base interactions energy: -967.059 where: short stacking energy: -419.103 Base-Backbone interact. energy: -2.691 local terms energy: -405.025289 where: bonds (distance) C4'-P energy: -69.212 bonds (distance) P-C4' energy: -74.151 flat angles C4'-P-C4' energy: -86.579 flat angles P-C4'-P energy: -57.922 tors. eta vs tors. theta energy: -117.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1289.989952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.989952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.989952 (E_RNA) where: Base-Base interactions energy: -889.569 where: short stacking energy: -380.516 Base-Backbone interact. energy: -1.251 local terms energy: -399.170200 where: bonds (distance) C4'-P energy: -73.880 bonds (distance) P-C4' energy: -81.506 flat angles C4'-P-C4' energy: -84.100 flat angles P-C4'-P energy: -54.472 tors. eta vs tors. theta energy: -105.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1220.820029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.820029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.820029 (E_RNA) where: Base-Base interactions energy: -829.795 where: short stacking energy: -380.823 Base-Backbone interact. energy: 2.002 local terms energy: -393.027189 where: bonds (distance) C4'-P energy: -73.305 bonds (distance) P-C4' energy: -74.112 flat angles C4'-P-C4' energy: -79.640 flat angles P-C4'-P energy: -51.952 tors. eta vs tors. theta energy: -114.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1174.338900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.338900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.338900 (E_RNA) where: Base-Base interactions energy: -817.550 where: short stacking energy: -344.432 Base-Backbone interact. energy: -0.251 local terms energy: -356.537221 where: bonds (distance) C4'-P energy: -69.211 bonds (distance) P-C4' energy: -60.799 flat angles C4'-P-C4' energy: -83.833 flat angles P-C4'-P energy: -47.122 tors. eta vs tors. theta energy: -95.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1141.758036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.758036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.758036 (E_RNA) where: Base-Base interactions energy: -777.077 where: short stacking energy: -362.559 Base-Backbone interact. energy: -0.027 local terms energy: -364.653911 where: bonds (distance) C4'-P energy: -67.021 bonds (distance) P-C4' energy: -58.065 flat angles C4'-P-C4' energy: -84.753 flat angles P-C4'-P energy: -54.054 tors. eta vs tors. theta energy: -100.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -749.439098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.439098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.439098 (E_RNA) where: Base-Base interactions energy: -439.148 where: short stacking energy: -239.126 Base-Backbone interact. energy: -0.265 local terms energy: -310.025862 where: bonds (distance) C4'-P energy: -67.667 bonds (distance) P-C4' energy: -69.979 flat angles C4'-P-C4' energy: -74.601 flat angles P-C4'-P energy: -44.059 tors. eta vs tors. theta energy: -53.721 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: 9 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -682.623567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.623567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.623567 (E_RNA) where: Base-Base interactions energy: -412.040 where: short stacking energy: -206.478 Base-Backbone interact. energy: 0.518 local terms energy: -271.101612 where: bonds (distance) C4'-P energy: -53.647 bonds (distance) P-C4' energy: -81.264 flat angles C4'-P-C4' energy: -62.889 flat angles P-C4'-P energy: -43.771 tors. eta vs tors. theta energy: -29.531 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: 8 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -694.398806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.398806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.398806 (E_RNA) where: Base-Base interactions energy: -413.156 where: short stacking energy: -209.485 Base-Backbone interact. energy: 3.715 local terms energy: -284.958470 where: bonds (distance) C4'-P energy: -63.548 bonds (distance) P-C4' energy: -69.883 flat angles C4'-P-C4' energy: -68.423 flat angles P-C4'-P energy: -40.246 tors. eta vs tors. theta energy: -42.859 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: 1 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -331.680665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.680665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.680665 (E_RNA) where: Base-Base interactions energy: -116.540 where: short stacking energy: -91.631 Base-Backbone interact. energy: -1.950 local terms energy: -213.191172 where: bonds (distance) C4'-P energy: -63.699 bonds (distance) P-C4' energy: -74.315 flat angles C4'-P-C4' energy: -59.653 flat angles P-C4'-P energy: -31.921 tors. eta vs tors. theta energy: 16.397 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: 4 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1391.689947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.689947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.689947 (E_RNA) where: Base-Base interactions energy: -951.047 where: short stacking energy: -408.972 Base-Backbone interact. energy: 0.157 local terms energy: -440.799733 where: bonds (distance) C4'-P energy: -81.192 bonds (distance) P-C4' energy: -81.805 flat angles C4'-P-C4' energy: -86.753 flat angles P-C4'-P energy: -62.216 tors. eta vs tors. theta energy: -128.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1350.353528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.353528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.353528 (E_RNA) where: Base-Base interactions energy: -948.148 where: short stacking energy: -393.111 Base-Backbone interact. energy: -3.210 local terms energy: -398.995465 where: bonds (distance) C4'-P energy: -67.246 bonds (distance) P-C4' energy: -71.137 flat angles C4'-P-C4' energy: -88.341 flat angles P-C4'-P energy: -55.620 tors. eta vs tors. theta energy: -116.651 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: 323 Temperature: 1.000000 Total energy: -1305.368105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.368105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.368105 (E_RNA) where: Base-Base interactions energy: -904.225 where: short stacking energy: -407.616 Base-Backbone interact. energy: -0.103 local terms energy: -401.039931 where: bonds (distance) C4'-P energy: -70.983 bonds (distance) P-C4' energy: -69.402 flat angles C4'-P-C4' energy: -86.859 flat angles P-C4'-P energy: -56.141 tors. eta vs tors. theta energy: -117.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1257.418933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.418933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.418933 (E_RNA) where: Base-Base interactions energy: -837.218 where: short stacking energy: -388.429 Base-Backbone interact. energy: -1.280 local terms energy: -418.920471 where: bonds (distance) C4'-P energy: -69.571 bonds (distance) P-C4' energy: -75.433 flat angles C4'-P-C4' energy: -86.009 flat angles P-C4'-P energy: -66.247 tors. eta vs tors. theta energy: -121.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1128.608958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.608958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.608958 (E_RNA) where: Base-Base interactions energy: -764.249 where: short stacking energy: -331.204 Base-Backbone interact. energy: -2.619 local terms energy: -361.740996 where: bonds (distance) C4'-P energy: -65.250 bonds (distance) P-C4' energy: -74.525 flat angles C4'-P-C4' energy: -82.580 flat angles P-C4'-P energy: -52.869 tors. eta vs tors. theta energy: -86.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1118.882143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.882143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.882143 (E_RNA) where: Base-Base interactions energy: -749.324 where: short stacking energy: -327.082 Base-Backbone interact. energy: 0.235 local terms energy: -369.792906 where: bonds (distance) C4'-P energy: -76.820 bonds (distance) P-C4' energy: -60.526 flat angles C4'-P-C4' energy: -74.540 flat angles P-C4'-P energy: -51.854 tors. eta vs tors. theta energy: -106.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -755.860087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.860087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.860087 (E_RNA) where: Base-Base interactions energy: -428.045 where: short stacking energy: -222.085 Base-Backbone interact. energy: 0.817 local terms energy: -328.632506 where: bonds (distance) C4'-P energy: -66.746 bonds (distance) P-C4' energy: -80.022 flat angles C4'-P-C4' energy: -82.594 flat angles P-C4'-P energy: -48.113 tors. eta vs tors. theta energy: -51.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -732.887358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.887358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.887358 (E_RNA) where: Base-Base interactions energy: -451.711 where: short stacking energy: -212.804 Base-Backbone interact. energy: 2.064 local terms energy: -283.240407 where: bonds (distance) C4'-P energy: -78.126 bonds (distance) P-C4' energy: -58.936 flat angles C4'-P-C4' energy: -64.926 flat angles P-C4'-P energy: -29.798 tors. eta vs tors. theta energy: -51.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -657.221541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.221541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.221541 (E_RNA) where: Base-Base interactions energy: -413.123 where: short stacking energy: -187.469 Base-Backbone interact. energy: -2.595 local terms energy: -241.503966 where: bonds (distance) C4'-P energy: -64.265 bonds (distance) P-C4' energy: -60.821 flat angles C4'-P-C4' energy: -63.988 flat angles P-C4'-P energy: -41.823 tors. eta vs tors. theta energy: -10.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -321.121640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.121640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.121640 (E_RNA) where: Base-Base interactions energy: -129.450 where: short stacking energy: -120.725 Base-Backbone interact. energy: -0.095 local terms energy: -191.576848 where: bonds (distance) C4'-P energy: -49.398 bonds (distance) P-C4' energy: -63.529 flat angles C4'-P-C4' energy: -46.363 flat angles P-C4'-P energy: -43.094 tors. eta vs tors. theta energy: 10.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1410.916779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.916779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.916779 (E_RNA) where: Base-Base interactions energy: -998.778 where: short stacking energy: -412.314 Base-Backbone interact. energy: -1.379 local terms energy: -410.759860 where: bonds (distance) C4'-P energy: -84.657 bonds (distance) P-C4' energy: -67.843 flat angles C4'-P-C4' energy: -89.065 flat angles P-C4'-P energy: -46.030 tors. eta vs tors. theta energy: -123.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1352.016824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.016824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.016824 (E_RNA) where: Base-Base interactions energy: -917.143 where: short stacking energy: -397.470 Base-Backbone interact. energy: -2.260 local terms energy: -432.613745 where: bonds (distance) C4'-P energy: -76.446 bonds (distance) P-C4' energy: -83.743 flat angles C4'-P-C4' energy: -90.712 flat angles P-C4'-P energy: -62.887 tors. eta vs tors. theta energy: -118.825 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: 3, replica: 6 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1321.773567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.773567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.773567 (E_RNA) where: Base-Base interactions energy: -899.399 where: short stacking energy: -411.696 Base-Backbone interact. energy: 0.861 local terms energy: -423.236138 where: bonds (distance) C4'-P energy: -75.474 bonds (distance) P-C4' energy: -79.298 flat angles C4'-P-C4' energy: -89.245 flat angles P-C4'-P energy: -58.188 tors. eta vs tors. theta energy: -121.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1226.075022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.075022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.075022 (E_RNA) where: Base-Base interactions energy: -847.060 where: short stacking energy: -359.383 Base-Backbone interact. energy: 3.397 local terms energy: -382.412060 where: bonds (distance) C4'-P energy: -61.712 bonds (distance) P-C4' energy: -68.396 flat angles C4'-P-C4' energy: -87.949 flat angles P-C4'-P energy: -57.244 tors. eta vs tors. theta energy: -107.112 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: 324 Temperature: 1.100000 Total energy: -1181.333845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.333845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.333845 (E_RNA) where: Base-Base interactions energy: -799.148 where: short stacking energy: -357.843 Base-Backbone interact. energy: 0.187 local terms energy: -382.372182 where: bonds (distance) C4'-P energy: -77.184 bonds (distance) P-C4' energy: -75.357 flat angles C4'-P-C4' energy: -80.030 flat angles P-C4'-P energy: -45.185 tors. eta vs tors. theta energy: -104.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1101.146869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.146869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.146869 (E_RNA) where: Base-Base interactions energy: -754.267 where: short stacking energy: -323.220 Base-Backbone interact. energy: -0.097 local terms energy: -346.783405 where: bonds (distance) C4'-P energy: -71.051 bonds (distance) P-C4' energy: -77.358 flat angles C4'-P-C4' energy: -72.068 flat angles P-C4'-P energy: -44.005 tors. eta vs tors. theta energy: -82.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -729.946070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.946070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.946070 (E_RNA) where: Base-Base interactions energy: -432.557 where: short stacking energy: -233.492 Base-Backbone interact. energy: 0.874 local terms energy: -298.263461 where: bonds (distance) C4'-P energy: -64.822 bonds (distance) P-C4' energy: -70.204 flat angles C4'-P-C4' energy: -75.296 flat angles P-C4'-P energy: -41.674 tors. eta vs tors. theta energy: -46.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -665.365078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.365078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.365078 (E_RNA) where: Base-Base interactions energy: -392.313 where: short stacking energy: -196.674 Base-Backbone interact. energy: 1.001 local terms energy: -274.052336 where: bonds (distance) C4'-P energy: -57.062 bonds (distance) P-C4' energy: -78.677 flat angles C4'-P-C4' energy: -68.053 flat angles P-C4'-P energy: -30.913 tors. eta vs tors. theta energy: -39.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -669.487206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.487206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.487206 (E_RNA) where: Base-Base interactions energy: -393.310 where: short stacking energy: -174.241 Base-Backbone interact. energy: -1.677 local terms energy: -274.501045 where: bonds (distance) C4'-P energy: -71.925 bonds (distance) P-C4' energy: -68.847 flat angles C4'-P-C4' energy: -58.677 flat angles P-C4'-P energy: -42.097 tors. eta vs tors. theta energy: -32.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -362.630291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.630291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.630291 (E_RNA) where: Base-Base interactions energy: -161.967 where: short stacking energy: -111.149 Base-Backbone interact. energy: -0.205 local terms energy: -200.458282 where: bonds (distance) C4'-P energy: -54.404 bonds (distance) P-C4' energy: -50.618 flat angles C4'-P-C4' energy: -58.838 flat angles P-C4'-P energy: -33.092 tors. eta vs tors. theta energy: -3.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1387.089210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.089210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.089210 (E_RNA) where: Base-Base interactions energy: -960.933 where: short stacking energy: -408.807 Base-Backbone interact. energy: -3.124 local terms energy: -423.031920 where: bonds (distance) C4'-P energy: -67.086 bonds (distance) P-C4' energy: -85.950 flat angles C4'-P-C4' energy: -87.112 flat angles P-C4'-P energy: -61.189 tors. eta vs tors. theta energy: -121.695 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: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1358.956998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.956998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.956998 (E_RNA) where: Base-Base interactions energy: -941.136 where: short stacking energy: -396.967 Base-Backbone interact. energy: 1.481 local terms energy: -419.302213 where: bonds (distance) C4'-P energy: -77.054 bonds (distance) P-C4' energy: -74.693 flat angles C4'-P-C4' energy: -94.374 flat angles P-C4'-P energy: -55.916 tors. eta vs tors. theta energy: -117.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1284.330811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.330811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.330811 (E_RNA) where: Base-Base interactions energy: -873.217 where: short stacking energy: -390.328 Base-Backbone interact. energy: -1.731 local terms energy: -409.382259 where: bonds (distance) C4'-P energy: -71.801 bonds (distance) P-C4' energy: -73.534 flat angles C4'-P-C4' energy: -89.978 flat angles P-C4'-P energy: -58.692 tors. eta vs tors. theta energy: -115.378 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: 2 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1256.069050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.069050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.069050 (E_RNA) where: Base-Base interactions energy: -865.469 where: short stacking energy: -408.332 Base-Backbone interact. energy: 2.737 local terms energy: -393.337181 where: bonds (distance) C4'-P energy: -76.708 bonds (distance) P-C4' energy: -70.928 flat angles C4'-P-C4' energy: -87.393 flat angles P-C4'-P energy: -47.229 tors. eta vs tors. theta energy: -111.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1146.794623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.794623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.794623 (E_RNA) where: Base-Base interactions energy: -795.452 where: short stacking energy: -362.282 Base-Backbone interact. energy: 0.561 local terms energy: -351.903244 where: bonds (distance) C4'-P energy: -71.233 bonds (distance) P-C4' energy: -54.850 flat angles C4'-P-C4' energy: -77.475 flat angles P-C4'-P energy: -47.080 tors. eta vs tors. theta energy: -101.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1108.328217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.328217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.328217 (E_RNA) where: Base-Base interactions energy: -764.476 where: short stacking energy: -324.564 Base-Backbone interact. energy: -0.436 local terms energy: -343.416027 where: bonds (distance) C4'-P energy: -63.575 bonds (distance) P-C4' energy: -68.122 flat angles C4'-P-C4' energy: -78.417 flat angles P-C4'-P energy: -44.959 tors. eta vs tors. theta energy: -88.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -747.963261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.963261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.963261 (E_RNA) where: Base-Base interactions energy: -432.139 where: short stacking energy: -221.951 Base-Backbone interact. energy: -1.348 local terms energy: -314.476830 where: bonds (distance) C4'-P energy: -68.238 bonds (distance) P-C4' energy: -75.742 flat angles C4'-P-C4' energy: -76.237 flat angles P-C4'-P energy: -42.578 tors. eta vs tors. theta energy: -51.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -700.210504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.210504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.210504 (E_RNA) where: Base-Base interactions energy: -432.786 where: short stacking energy: -192.997 Base-Backbone interact. energy: -0.239 local terms energy: -267.185851 where: bonds (distance) C4'-P energy: -64.528 bonds (distance) P-C4' energy: -63.467 flat angles C4'-P-C4' energy: -74.518 flat angles P-C4'-P energy: -34.801 tors. eta vs tors. theta energy: -29.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -646.087862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.087862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.087862 (E_RNA) where: Base-Base interactions energy: -391.345 where: short stacking energy: -184.271 Base-Backbone interact. energy: -0.721 local terms energy: -254.021716 where: bonds (distance) C4'-P energy: -45.228 bonds (distance) P-C4' energy: -66.650 flat angles C4'-P-C4' energy: -66.640 flat angles P-C4'-P energy: -48.385 tors. eta vs tors. theta energy: -27.119 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: 10, replica: 1 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -334.247340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.247340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.247340 (E_RNA) where: Base-Base interactions energy: -129.395 where: short stacking energy: -101.769 Base-Backbone interact. energy: 0.956 local terms energy: -205.808832 where: bonds (distance) C4'-P energy: -50.714 bonds (distance) P-C4' energy: -68.444 flat angles C4'-P-C4' energy: -42.783 flat angles P-C4'-P energy: -47.112 tors. eta vs tors. theta energy: 3.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1406.340118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.340118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.340118 (E_RNA) where: Base-Base interactions energy: -951.972 where: short stacking energy: -411.012 Base-Backbone interact. energy: -4.861 local terms energy: -449.507232 where: bonds (distance) C4'-P energy: -85.835 bonds (distance) P-C4' energy: -80.717 flat angles C4'-P-C4' energy: -92.320 flat angles P-C4'-P energy: -64.686 tors. eta vs tors. theta energy: -125.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1374.188055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.188055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.188055 (E_RNA) where: Base-Base interactions energy: -943.323 where: short stacking energy: -394.481 Base-Backbone interact. energy: -0.636 local terms energy: -430.229124 where: bonds (distance) C4'-P energy: -75.626 bonds (distance) P-C4' energy: -87.602 flat angles C4'-P-C4' energy: -88.870 flat angles P-C4'-P energy: -66.960 tors. eta vs tors. theta energy: -111.171 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: 3, replica: 6 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1310.354453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.354453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.354453 (E_RNA) where: Base-Base interactions energy: -912.275 where: short stacking energy: -392.105 Base-Backbone interact. energy: 1.280 local terms energy: -399.359267 where: bonds (distance) C4'-P energy: -72.168 bonds (distance) P-C4' energy: -74.791 flat angles C4'-P-C4' energy: -83.481 flat angles P-C4'-P energy: -58.698 tors. eta vs tors. theta energy: -110.220 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: 2 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1262.812490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.812490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.812490 (E_RNA) where: Base-Base interactions energy: -878.592 where: short stacking energy: -370.800 Base-Backbone interact. energy: -1.064 local terms energy: -383.156157 where: bonds (distance) C4'-P energy: -73.098 bonds (distance) P-C4' energy: -61.547 flat angles C4'-P-C4' energy: -81.412 flat angles P-C4'-P energy: -52.478 tors. eta vs tors. theta energy: -114.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1123.115331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.115331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.115331 (E_RNA) where: Base-Base interactions energy: -755.431 where: short stacking energy: -350.637 Base-Backbone interact. energy: -1.045 local terms energy: -366.639870 where: bonds (distance) C4'-P energy: -71.611 bonds (distance) P-C4' energy: -77.069 flat angles C4'-P-C4' energy: -79.071 flat angles P-C4'-P energy: -41.077 tors. eta vs tors. theta energy: -97.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1091.711975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.711975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.711975 (E_RNA) where: Base-Base interactions energy: -740.466 where: short stacking energy: -336.005 Base-Backbone interact. energy: -0.334 local terms energy: -350.912483 where: bonds (distance) C4'-P energy: -61.086 bonds (distance) P-C4' energy: -67.575 flat angles C4'-P-C4' energy: -82.437 flat angles P-C4'-P energy: -55.190 tors. eta vs tors. theta energy: -84.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -755.670532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.670532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.670532 (E_RNA) where: Base-Base interactions energy: -447.400 where: short stacking energy: -214.881 Base-Backbone interact. energy: -1.920 local terms energy: -306.350689 where: bonds (distance) C4'-P energy: -59.832 bonds (distance) P-C4' energy: -84.417 flat angles C4'-P-C4' energy: -67.325 flat angles P-C4'-P energy: -49.306 tors. eta vs tors. theta energy: -45.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -687.707412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.707412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.707412 (E_RNA) where: Base-Base interactions energy: -423.565 where: short stacking energy: -205.794 Base-Backbone interact. energy: -0.047 local terms energy: -264.095332 where: bonds (distance) C4'-P energy: -66.369 bonds (distance) P-C4' energy: -67.780 flat angles C4'-P-C4' energy: -58.207 flat angles P-C4'-P energy: -33.602 tors. eta vs tors. theta energy: -38.137 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: 9, replica: 8 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -660.017158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.017158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.017158 (E_RNA) where: Base-Base interactions energy: -398.967 where: short stacking energy: -193.269 Base-Backbone interact. energy: -0.654 local terms energy: -260.396156 where: bonds (distance) C4'-P energy: -60.058 bonds (distance) P-C4' energy: -61.820 flat angles C4'-P-C4' energy: -75.354 flat angles P-C4'-P energy: -27.657 tors. eta vs tors. theta energy: -35.508 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: 1 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -321.721587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.721587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.721587 (E_RNA) where: Base-Base interactions energy: -97.440 where: short stacking energy: -93.903 Base-Backbone interact. energy: -1.300 local terms energy: -222.981814 where: bonds (distance) C4'-P energy: -60.963 bonds (distance) P-C4' energy: -71.831 flat angles C4'-P-C4' energy: -53.485 flat angles P-C4'-P energy: -45.531 tors. eta vs tors. theta energy: 8.829 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: 4 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1423.089388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.089388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.089388 (E_RNA) where: Base-Base interactions energy: -974.702 where: short stacking energy: -432.637 Base-Backbone interact. energy: -1.082 local terms energy: -447.304642 where: bonds (distance) C4'-P energy: -76.577 bonds (distance) P-C4' energy: -80.850 flat angles C4'-P-C4' energy: -96.513 flat angles P-C4'-P energy: -56.916 tors. eta vs tors. theta energy: -136.449 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: 3 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1376.900424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.900424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.900424 (E_RNA) where: Base-Base interactions energy: -942.403 where: short stacking energy: -398.838 Base-Backbone interact. energy: -2.201 local terms energy: -432.297232 where: bonds (distance) C4'-P energy: -82.611 bonds (distance) P-C4' energy: -81.902 flat angles C4'-P-C4' energy: -87.036 flat angles P-C4'-P energy: -66.325 tors. eta vs tors. theta energy: -114.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1311.451590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.451590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.451590 (E_RNA) where: Base-Base interactions energy: -894.341 where: short stacking energy: -381.118 Base-Backbone interact. energy: -0.888 local terms energy: -416.223099 where: bonds (distance) C4'-P energy: -76.700 bonds (distance) P-C4' energy: -84.312 flat angles C4'-P-C4' energy: -81.760 flat angles P-C4'-P energy: -60.283 tors. eta vs tors. theta energy: -113.168 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: 2 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1234.206058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.206058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.206058 (E_RNA) where: Base-Base interactions energy: -869.347 where: short stacking energy: -377.613 Base-Backbone interact. energy: 0.221 local terms energy: -365.080519 where: bonds (distance) C4'-P energy: -63.723 bonds (distance) P-C4' energy: -55.132 flat angles C4'-P-C4' energy: -87.923 flat angles P-C4'-P energy: -53.753 tors. eta vs tors. theta energy: -104.549 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: 327 Temperature: 1.100000 Total energy: -1143.274717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.274717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.274717 (E_RNA) where: Base-Base interactions energy: -759.346 where: short stacking energy: -360.377 Base-Backbone interact. energy: -1.227 local terms energy: -382.701583 where: bonds (distance) C4'-P energy: -64.958 bonds (distance) P-C4' energy: -70.913 flat angles C4'-P-C4' energy: -89.830 flat angles P-C4'-P energy: -54.380 tors. eta vs tors. theta energy: -102.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1104.047654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.047654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.047654 (E_RNA) where: Base-Base interactions energy: -740.606 where: short stacking energy: -319.799 Base-Backbone interact. energy: -0.570 local terms energy: -362.871751 where: bonds (distance) C4'-P energy: -67.343 bonds (distance) P-C4' energy: -71.001 flat angles C4'-P-C4' energy: -85.324 flat angles P-C4'-P energy: -46.061 tors. eta vs tors. theta energy: -93.142 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: 5 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -754.464872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.464872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.464872 (E_RNA) where: Base-Base interactions energy: -460.106 where: short stacking energy: -231.752 Base-Backbone interact. energy: -2.074 local terms energy: -292.284135 where: bonds (distance) C4'-P energy: -61.454 bonds (distance) P-C4' energy: -60.630 flat angles C4'-P-C4' energy: -74.048 flat angles P-C4'-P energy: -37.345 tors. eta vs tors. theta energy: -58.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -707.132372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.132372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.132372 (E_RNA) where: Base-Base interactions energy: -454.184 where: short stacking energy: -209.395 Base-Backbone interact. energy: -1.065 local terms energy: -251.883598 where: bonds (distance) C4'-P energy: -56.254 bonds (distance) P-C4' energy: -56.669 flat angles C4'-P-C4' energy: -64.401 flat angles P-C4'-P energy: -44.723 tors. eta vs tors. theta energy: -29.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -711.369897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.369897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.369897 (E_RNA) where: Base-Base interactions energy: -453.445 where: short stacking energy: -213.588 Base-Backbone interact. energy: -0.512 local terms energy: -257.412556 where: bonds (distance) C4'-P energy: -56.160 bonds (distance) P-C4' energy: -68.938 flat angles C4'-P-C4' energy: -60.528 flat angles P-C4'-P energy: -31.148 tors. eta vs tors. theta energy: -40.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -368.090051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.090051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.090051 (E_RNA) where: Base-Base interactions energy: -172.593 where: short stacking energy: -99.437 Base-Backbone interact. energy: -1.376 local terms energy: -194.121086 where: bonds (distance) C4'-P energy: -55.056 bonds (distance) P-C4' energy: -69.553 flat angles C4'-P-C4' energy: -40.987 flat angles P-C4'-P energy: -36.222 tors. eta vs tors. theta energy: 7.698 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: 1, replica: 4 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1405.110451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.110451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.110451 (E_RNA) where: Base-Base interactions energy: -982.129 where: short stacking energy: -448.846 Base-Backbone interact. energy: -0.991 local terms energy: -421.990203 where: bonds (distance) C4'-P energy: -81.778 bonds (distance) P-C4' energy: -72.085 flat angles C4'-P-C4' energy: -87.168 flat angles P-C4'-P energy: -50.809 tors. eta vs tors. theta energy: -130.150 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: 328 Temperature: 0.950000 Total energy: -1360.673990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.673990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.673990 (E_RNA) where: Base-Base interactions energy: -949.377 where: short stacking energy: -402.339 Base-Backbone interact. energy: -1.123 local terms energy: -410.174015 where: bonds (distance) C4'-P energy: -76.514 bonds (distance) P-C4' energy: -75.733 flat angles C4'-P-C4' energy: -84.658 flat angles P-C4'-P energy: -57.112 tors. eta vs tors. theta energy: -116.158 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: 6 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1291.540174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.540174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.540174 (E_RNA) where: Base-Base interactions energy: -901.968 where: short stacking energy: -408.314 Base-Backbone interact. energy: -0.215 local terms energy: -389.357176 where: bonds (distance) C4'-P energy: -72.395 bonds (distance) P-C4' energy: -68.629 flat angles C4'-P-C4' energy: -90.299 flat angles P-C4'-P energy: -42.499 tors. eta vs tors. theta energy: -115.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1252.519699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.519699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.519699 (E_RNA) where: Base-Base interactions energy: -847.555 where: short stacking energy: -369.177 Base-Backbone interact. energy: 0.173 local terms energy: -405.137724 where: bonds (distance) C4'-P energy: -71.573 bonds (distance) P-C4' energy: -78.217 flat angles C4'-P-C4' energy: -84.088 flat angles P-C4'-P energy: -56.200 tors. eta vs tors. theta energy: -115.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1170.729685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.729685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.729685 (E_RNA) where: Base-Base interactions energy: -788.546 where: short stacking energy: -352.173 Base-Backbone interact. energy: 0.526 local terms energy: -382.710320 where: bonds (distance) C4'-P energy: -76.151 bonds (distance) P-C4' energy: -73.386 flat angles C4'-P-C4' energy: -79.266 flat angles P-C4'-P energy: -44.433 tors. eta vs tors. theta energy: -109.475 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: 10 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1086.719341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.719341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.719341 (E_RNA) where: Base-Base interactions energy: -731.907 where: short stacking energy: -312.345 Base-Backbone interact. energy: -0.561 local terms energy: -354.250520 where: bonds (distance) C4'-P energy: -76.904 bonds (distance) P-C4' energy: -67.957 flat angles C4'-P-C4' energy: -74.672 flat angles P-C4'-P energy: -50.775 tors. eta vs tors. theta energy: -83.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -787.005240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.005240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.005240 (E_RNA) where: Base-Base interactions energy: -489.136 where: short stacking energy: -237.029 Base-Backbone interact. energy: -0.291 local terms energy: -297.578767 where: bonds (distance) C4'-P energy: -63.657 bonds (distance) P-C4' energy: -70.984 flat angles C4'-P-C4' energy: -77.704 flat angles P-C4'-P energy: -32.039 tors. eta vs tors. theta energy: -53.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -701.178238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.178238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.178238 (E_RNA) where: Base-Base interactions energy: -423.686 where: short stacking energy: -229.119 Base-Backbone interact. energy: -0.513 local terms energy: -276.980081 where: bonds (distance) C4'-P energy: -66.309 bonds (distance) P-C4' energy: -68.326 flat angles C4'-P-C4' energy: -69.010 flat angles P-C4'-P energy: -43.735 tors. eta vs tors. theta energy: -29.601 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: 8 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -685.696996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.696996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.696996 (E_RNA) where: Base-Base interactions energy: -421.293 where: short stacking energy: -203.464 Base-Backbone interact. energy: 0.511 local terms energy: -264.914493 where: bonds (distance) C4'-P energy: -52.895 bonds (distance) P-C4' energy: -63.958 flat angles C4'-P-C4' energy: -68.928 flat angles P-C4'-P energy: -37.109 tors. eta vs tors. theta energy: -42.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -348.380134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.380134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.380134 (E_RNA) where: Base-Base interactions energy: -141.101 where: short stacking energy: -85.935 Base-Backbone interact. energy: 2.678 local terms energy: -209.957505 where: bonds (distance) C4'-P energy: -68.877 bonds (distance) P-C4' energy: -54.288 flat angles C4'-P-C4' energy: -58.929 flat angles P-C4'-P energy: -36.489 tors. eta vs tors. theta energy: 8.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1397.783260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.783260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.783260 (E_RNA) where: Base-Base interactions energy: -946.716 where: short stacking energy: -423.704 Base-Backbone interact. energy: -1.168 local terms energy: -449.899603 where: bonds (distance) C4'-P energy: -74.939 bonds (distance) P-C4' energy: -79.774 flat angles C4'-P-C4' energy: -98.071 flat angles P-C4'-P energy: -69.226 tors. eta vs tors. theta energy: -127.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1358.050340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.050340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.050340 (E_RNA) where: Base-Base interactions energy: -954.171 where: short stacking energy: -411.653 Base-Backbone interact. energy: -1.105 local terms energy: -402.774449 where: bonds (distance) C4'-P energy: -70.453 bonds (distance) P-C4' energy: -72.240 flat angles C4'-P-C4' energy: -88.021 flat angles P-C4'-P energy: -57.908 tors. eta vs tors. theta energy: -114.152 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: 329 Temperature: 1.000000 Total energy: -1313.184120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.184120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.184120 (E_RNA) where: Base-Base interactions energy: -910.947 where: short stacking energy: -394.719 Base-Backbone interact. energy: -0.957 local terms energy: -401.279437 where: bonds (distance) C4'-P energy: -73.293 bonds (distance) P-C4' energy: -67.626 flat angles C4'-P-C4' energy: -90.790 flat angles P-C4'-P energy: -54.694 tors. eta vs tors. theta energy: -114.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1238.403080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.403080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.403080 (E_RNA) where: Base-Base interactions energy: -850.145 where: short stacking energy: -371.678 Base-Backbone interact. energy: -3.181 local terms energy: -385.077368 where: bonds (distance) C4'-P energy: -67.294 bonds (distance) P-C4' energy: -68.674 flat angles C4'-P-C4' energy: -86.337 flat angles P-C4'-P energy: -54.558 tors. eta vs tors. theta energy: -108.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1164.972160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.972160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.972160 (E_RNA) where: Base-Base interactions energy: -817.908 where: short stacking energy: -350.420 Base-Backbone interact. energy: 3.691 local terms energy: -350.755078 where: bonds (distance) C4'-P energy: -56.256 bonds (distance) P-C4' energy: -69.630 flat angles C4'-P-C4' energy: -70.497 flat angles P-C4'-P energy: -57.720 tors. eta vs tors. theta energy: -96.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1103.812915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.812915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.812915 (E_RNA) where: Base-Base interactions energy: -757.792 where: short stacking energy: -308.240 Base-Backbone interact. energy: -0.149 local terms energy: -345.871884 where: bonds (distance) C4'-P energy: -74.502 bonds (distance) P-C4' energy: -68.065 flat angles C4'-P-C4' energy: -76.743 flat angles P-C4'-P energy: -42.784 tors. eta vs tors. theta energy: -83.778 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: 9 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -789.122873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.122873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.122873 (E_RNA) where: Base-Base interactions energy: -483.482 where: short stacking energy: -221.890 Base-Backbone interact. energy: 0.411 local terms energy: -306.052410 where: bonds (distance) C4'-P energy: -76.691 bonds (distance) P-C4' energy: -78.715 flat angles C4'-P-C4' energy: -67.722 flat angles P-C4'-P energy: -38.686 tors. eta vs tors. theta energy: -44.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -779.840364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.840364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.840364 (E_RNA) where: Base-Base interactions energy: -495.416 where: short stacking energy: -245.198 Base-Backbone interact. energy: -1.291 local terms energy: -283.133162 where: bonds (distance) C4'-P energy: -54.149 bonds (distance) P-C4' energy: -77.796 flat angles C4'-P-C4' energy: -66.500 flat angles P-C4'-P energy: -31.818 tors. eta vs tors. theta energy: -52.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -560.531749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.531749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.531749 (E_RNA) where: Base-Base interactions energy: -305.956 where: short stacking energy: -145.542 Base-Backbone interact. energy: -1.901 local terms energy: -252.674088 where: bonds (distance) C4'-P energy: -70.837 bonds (distance) P-C4' energy: -74.069 flat angles C4'-P-C4' energy: -57.650 flat angles P-C4'-P energy: -32.353 tors. eta vs tors. theta energy: -17.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -333.284852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.284852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.284852 (E_RNA) where: Base-Base interactions energy: -130.935 where: short stacking energy: -97.537 Base-Backbone interact. energy: 1.494 local terms energy: -203.843315 where: bonds (distance) C4'-P energy: -62.520 bonds (distance) P-C4' energy: -66.450 flat angles C4'-P-C4' energy: -41.959 flat angles P-C4'-P energy: -46.351 tors. eta vs tors. theta energy: 13.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1392.139162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.139162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.139162 (E_RNA) where: Base-Base interactions energy: -949.070 where: short stacking energy: -417.830 Base-Backbone interact. energy: -1.131 local terms energy: -441.938403 where: bonds (distance) C4'-P energy: -77.126 bonds (distance) P-C4' energy: -83.831 flat angles C4'-P-C4' energy: -90.160 flat angles P-C4'-P energy: -73.588 tors. eta vs tors. theta energy: -117.234 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: 3 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1348.955102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.955102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.955102 (E_RNA) where: Base-Base interactions energy: -927.408 where: short stacking energy: -405.210 Base-Backbone interact. energy: -2.088 local terms energy: -419.459051 where: bonds (distance) C4'-P energy: -73.516 bonds (distance) P-C4' energy: -64.087 flat angles C4'-P-C4' energy: -95.377 flat angles P-C4'-P energy: -64.367 tors. eta vs tors. theta energy: -122.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1295.072089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.072089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.072089 (E_RNA) where: Base-Base interactions energy: -898.900 where: short stacking energy: -383.987 Base-Backbone interact. energy: 0.667 local terms energy: -396.839001 where: bonds (distance) C4'-P energy: -82.634 bonds (distance) P-C4' energy: -72.496 flat angles C4'-P-C4' energy: -81.755 flat angles P-C4'-P energy: -50.849 tors. eta vs tors. theta energy: -109.105 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: 4, replica: 2 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1240.254846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.254846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.254846 (E_RNA) where: Base-Base interactions energy: -859.326 where: short stacking energy: -360.809 Base-Backbone interact. energy: -1.493 local terms energy: -379.435433 where: bonds (distance) C4'-P energy: -69.787 bonds (distance) P-C4' energy: -68.674 flat angles C4'-P-C4' energy: -79.347 flat angles P-C4'-P energy: -60.709 tors. eta vs tors. theta energy: -100.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1194.552585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.552585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.552585 (E_RNA) where: Base-Base interactions energy: -826.573 where: short stacking energy: -354.990 Base-Backbone interact. energy: -2.111 local terms energy: -365.869233 where: bonds (distance) C4'-P energy: -77.049 bonds (distance) P-C4' energy: -67.573 flat angles C4'-P-C4' energy: -75.453 flat angles P-C4'-P energy: -46.060 tors. eta vs tors. theta energy: -99.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1155.333689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.333689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.333689 (E_RNA) where: Base-Base interactions energy: -792.518 where: short stacking energy: -342.554 Base-Backbone interact. energy: -3.925 local terms energy: -358.889958 where: bonds (distance) C4'-P energy: -50.012 bonds (distance) P-C4' energy: -68.765 flat angles C4'-P-C4' energy: -78.398 flat angles P-C4'-P energy: -54.100 tors. eta vs tors. theta energy: -107.614 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: 9 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -805.389641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.389641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.389641 (E_RNA) where: Base-Base interactions energy: -515.015 where: short stacking energy: -239.910 Base-Backbone interact. energy: 1.603 local terms energy: -291.977164 where: bonds (distance) C4'-P energy: -61.487 bonds (distance) P-C4' energy: -51.196 flat angles C4'-P-C4' energy: -75.446 flat angles P-C4'-P energy: -51.502 tors. eta vs tors. theta energy: -52.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -663.939097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.939097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.939097 (E_RNA) where: Base-Base interactions energy: -401.836 where: short stacking energy: -199.038 Base-Backbone interact. energy: -2.050 local terms energy: -260.052652 where: bonds (distance) C4'-P energy: -46.232 bonds (distance) P-C4' energy: -73.650 flat angles C4'-P-C4' energy: -63.752 flat angles P-C4'-P energy: -35.219 tors. eta vs tors. theta energy: -41.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -597.114219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.114219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.114219 (E_RNA) where: Base-Base interactions energy: -340.198 where: short stacking energy: -174.525 Base-Backbone interact. energy: -1.215 local terms energy: -255.700444 where: bonds (distance) C4'-P energy: -73.482 bonds (distance) P-C4' energy: -65.037 flat angles C4'-P-C4' energy: -53.587 flat angles P-C4'-P energy: -34.876 tors. eta vs tors. theta energy: -28.718 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: 1 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -352.698168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.698168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.698168 (E_RNA) where: Base-Base interactions energy: -124.226 where: short stacking energy: -106.770 Base-Backbone interact. energy: -2.065 local terms energy: -226.406948 where: bonds (distance) C4'-P energy: -67.204 bonds (distance) P-C4' energy: -65.360 flat angles C4'-P-C4' energy: -52.641 flat angles P-C4'-P energy: -38.301 tors. eta vs tors. theta energy: -2.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1399.359896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.359896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.359896 (E_RNA) where: Base-Base interactions energy: -971.176 where: short stacking energy: -406.498 Base-Backbone interact. energy: -3.418 local terms energy: -424.765228 where: bonds (distance) C4'-P energy: -72.601 bonds (distance) P-C4' energy: -80.986 flat angles C4'-P-C4' energy: -88.410 flat angles P-C4'-P energy: -61.221 tors. eta vs tors. theta energy: -121.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1325.146325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.146325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.146325 (E_RNA) where: Base-Base interactions energy: -917.920 where: short stacking energy: -381.817 Base-Backbone interact. energy: -1.259 local terms energy: -405.967366 where: bonds (distance) C4'-P energy: -61.497 bonds (distance) P-C4' energy: -83.400 flat angles C4'-P-C4' energy: -83.011 flat angles P-C4'-P energy: -63.235 tors. eta vs tors. theta energy: -114.824 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: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1305.191827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.191827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.191827 (E_RNA) where: Base-Base interactions energy: -900.738 where: short stacking energy: -386.914 Base-Backbone interact. energy: -0.429 local terms energy: -404.024580 where: bonds (distance) C4'-P energy: -68.557 bonds (distance) P-C4' energy: -75.064 flat angles C4'-P-C4' energy: -85.473 flat angles P-C4'-P energy: -63.117 tors. eta vs tors. theta energy: -111.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1230.568039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.568039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.568039 (E_RNA) where: Base-Base interactions energy: -842.125 where: short stacking energy: -363.527 Base-Backbone interact. energy: -3.112 local terms energy: -385.330400 where: bonds (distance) C4'-P energy: -67.795 bonds (distance) P-C4' energy: -78.347 flat angles C4'-P-C4' energy: -83.513 flat angles P-C4'-P energy: -52.906 tors. eta vs tors. theta energy: -102.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1193.352019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.352019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.352019 (E_RNA) where: Base-Base interactions energy: -836.334 where: short stacking energy: -368.077 Base-Backbone interact. energy: -1.105 local terms energy: -355.912448 where: bonds (distance) C4'-P energy: -60.482 bonds (distance) P-C4' energy: -68.384 flat angles C4'-P-C4' energy: -79.249 flat angles P-C4'-P energy: -44.547 tors. eta vs tors. theta energy: -103.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1175.166132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.166132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.166132 (E_RNA) where: Base-Base interactions energy: -797.881 where: short stacking energy: -343.892 Base-Backbone interact. energy: -0.696 local terms energy: -376.588535 where: bonds (distance) C4'-P energy: -72.411 bonds (distance) P-C4' energy: -77.451 flat angles C4'-P-C4' energy: -72.430 flat angles P-C4'-P energy: -50.244 tors. eta vs tors. theta energy: -104.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -874.872852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.872852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.872852 (E_RNA) where: Base-Base interactions energy: -567.776 where: short stacking energy: -262.741 Base-Backbone interact. energy: -0.329 local terms energy: -306.767819 where: bonds (distance) C4'-P energy: -60.827 bonds (distance) P-C4' energy: -73.878 flat angles C4'-P-C4' energy: -74.646 flat angles P-C4'-P energy: -38.243 tors. eta vs tors. theta energy: -59.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -655.391663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.391663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.391663 (E_RNA) where: Base-Base interactions energy: -384.199 where: short stacking energy: -193.347 Base-Backbone interact. energy: -1.881 local terms energy: -269.311698 where: bonds (distance) C4'-P energy: -51.226 bonds (distance) P-C4' energy: -70.606 flat angles C4'-P-C4' energy: -70.679 flat angles P-C4'-P energy: -46.061 tors. eta vs tors. theta energy: -30.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -604.358613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.358613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.358613 (E_RNA) where: Base-Base interactions energy: -355.366 where: short stacking energy: -190.155 Base-Backbone interact. energy: 1.026 local terms energy: -250.019058 where: bonds (distance) C4'-P energy: -53.374 bonds (distance) P-C4' energy: -69.361 flat angles C4'-P-C4' energy: -62.210 flat angles P-C4'-P energy: -29.551 tors. eta vs tors. theta energy: -35.523 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: 1 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -331.672586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.672586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.672586 (E_RNA) where: Base-Base interactions energy: -125.662 where: short stacking energy: -108.602 Base-Backbone interact. energy: 0.525 local terms energy: -206.535507 where: bonds (distance) C4'-P energy: -64.756 bonds (distance) P-C4' energy: -58.942 flat angles C4'-P-C4' energy: -59.968 flat angles P-C4'-P energy: -37.739 tors. eta vs tors. theta energy: 14.869 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: 1, replica: 6 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1368.091771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.091771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.091771 (E_RNA) where: Base-Base interactions energy: -945.712 where: short stacking energy: -406.916 Base-Backbone interact. energy: -1.560 local terms energy: -420.820420 where: bonds (distance) C4'-P energy: -83.146 bonds (distance) P-C4' energy: -79.086 flat angles C4'-P-C4' energy: -87.260 flat angles P-C4'-P energy: -56.953 tors. eta vs tors. theta energy: -114.376 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: 4 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1359.146283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.146283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.146283 (E_RNA) where: Base-Base interactions energy: -929.043 where: short stacking energy: -386.373 Base-Backbone interact. energy: -1.215 local terms energy: -428.888736 where: bonds (distance) C4'-P energy: -74.149 bonds (distance) P-C4' energy: -80.711 flat angles C4'-P-C4' energy: -94.555 flat angles P-C4'-P energy: -64.823 tors. eta vs tors. theta energy: -114.651 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: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1336.675307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.675307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.675307 (E_RNA) where: Base-Base interactions energy: -932.669 where: short stacking energy: -407.412 Base-Backbone interact. energy: -1.389 local terms energy: -402.617453 where: bonds (distance) C4'-P energy: -79.808 bonds (distance) P-C4' energy: -70.237 flat angles C4'-P-C4' energy: -84.972 flat angles P-C4'-P energy: -48.497 tors. eta vs tors. theta energy: -119.103 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: 10 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1222.824979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.824979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.824979 (E_RNA) where: Base-Base interactions energy: -844.439 where: short stacking energy: -355.410 Base-Backbone interact. energy: 1.390 local terms energy: -379.775931 where: bonds (distance) C4'-P energy: -70.409 bonds (distance) P-C4' energy: -66.916 flat angles C4'-P-C4' energy: -81.284 flat angles P-C4'-P energy: -57.541 tors. eta vs tors. theta energy: -103.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1162.912007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.912007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.912007 (E_RNA) where: Base-Base interactions energy: -804.012 where: short stacking energy: -362.897 Base-Backbone interact. energy: -1.676 local terms energy: -357.224019 where: bonds (distance) C4'-P energy: -70.052 bonds (distance) P-C4' energy: -60.288 flat angles C4'-P-C4' energy: -73.553 flat angles P-C4'-P energy: -47.348 tors. eta vs tors. theta energy: -105.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1153.828184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.828184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.828184 (E_RNA) where: Base-Base interactions energy: -789.252 where: short stacking energy: -347.301 Base-Backbone interact. energy: -2.010 local terms energy: -362.565675 where: bonds (distance) C4'-P energy: -68.818 bonds (distance) P-C4' energy: -74.632 flat angles C4'-P-C4' energy: -77.421 flat angles P-C4'-P energy: -43.894 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: 7, replica: 9 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -833.469812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.469812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.469812 (E_RNA) where: Base-Base interactions energy: -529.950 where: short stacking energy: -241.171 Base-Backbone interact. energy: -2.007 local terms energy: -301.512965 where: bonds (distance) C4'-P energy: -62.424 bonds (distance) P-C4' energy: -61.606 flat angles C4'-P-C4' energy: -71.475 flat angles P-C4'-P energy: -53.253 tors. eta vs tors. theta energy: -52.755 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: 8, replica: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -669.291206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.291206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.291206 (E_RNA) where: Base-Base interactions energy: -402.571 where: short stacking energy: -201.740 Base-Backbone interact. energy: -1.376 local terms energy: -265.343764 where: bonds (distance) C4'-P energy: -44.766 bonds (distance) P-C4' energy: -69.802 flat angles C4'-P-C4' energy: -67.390 flat angles P-C4'-P energy: -49.459 tors. eta vs tors. theta energy: -33.927 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: 8 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -618.365467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.365467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.365467 (E_RNA) where: Base-Base interactions energy: -377.221 where: short stacking energy: -173.227 Base-Backbone interact. energy: -2.590 local terms energy: -238.554619 where: bonds (distance) C4'-P energy: -55.501 bonds (distance) P-C4' energy: -64.370 flat angles C4'-P-C4' energy: -67.435 flat angles P-C4'-P energy: -30.670 tors. eta vs tors. theta energy: -20.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -321.556811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.556811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.556811 (E_RNA) where: Base-Base interactions energy: -120.177 where: short stacking energy: -106.929 Base-Backbone interact. energy: -1.637 local terms energy: -199.742842 where: bonds (distance) C4'-P energy: -76.775 bonds (distance) P-C4' energy: -60.754 flat angles C4'-P-C4' energy: -40.326 flat angles P-C4'-P energy: -25.787 tors. eta vs tors. theta energy: 3.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1384.134380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.134380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.134380 (E_RNA) where: Base-Base interactions energy: -952.385 where: short stacking energy: -398.249 Base-Backbone interact. energy: -1.384 local terms energy: -430.366094 where: bonds (distance) C4'-P energy: -77.277 bonds (distance) P-C4' energy: -82.742 flat angles C4'-P-C4' energy: -92.374 flat angles P-C4'-P energy: -65.174 tors. eta vs tors. theta energy: -112.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1357.488748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.488748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.488748 (E_RNA) where: Base-Base interactions energy: -938.805 where: short stacking energy: -395.988 Base-Backbone interact. energy: -1.562 local terms energy: -417.122217 where: bonds (distance) C4'-P energy: -84.603 bonds (distance) P-C4' energy: -78.108 flat angles C4'-P-C4' energy: -83.226 flat angles P-C4'-P energy: -55.369 tors. eta vs tors. theta energy: -115.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1332.015294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.015294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.015294 (E_RNA) where: Base-Base interactions energy: -909.649 where: short stacking energy: -386.658 Base-Backbone interact. energy: 0.030 local terms energy: -422.396485 where: bonds (distance) C4'-P energy: -83.377 bonds (distance) P-C4' energy: -71.424 flat angles C4'-P-C4' energy: -88.334 flat angles P-C4'-P energy: -59.694 tors. eta vs tors. theta energy: -119.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1228.029483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.029483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.029483 (E_RNA) where: Base-Base interactions energy: -836.487 where: short stacking energy: -367.690 Base-Backbone interact. energy: 2.247 local terms energy: -393.789316 where: bonds (distance) C4'-P energy: -70.222 bonds (distance) P-C4' energy: -68.831 flat angles C4'-P-C4' energy: -84.573 flat angles P-C4'-P energy: -57.212 tors. eta vs tors. theta energy: -112.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1163.145042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.145042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.145042 (E_RNA) where: Base-Base interactions energy: -790.515 where: short stacking energy: -332.820 Base-Backbone interact. energy: 1.502 local terms energy: -374.131533 where: bonds (distance) C4'-P energy: -72.297 bonds (distance) P-C4' energy: -78.428 flat angles C4'-P-C4' energy: -78.621 flat angles P-C4'-P energy: -45.582 tors. eta vs tors. theta energy: -99.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1138.553748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.553748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.553748 (E_RNA) where: Base-Base interactions energy: -781.717 where: short stacking energy: -343.621 Base-Backbone interact. energy: -1.685 local terms energy: -355.151235 where: bonds (distance) C4'-P energy: -56.216 bonds (distance) P-C4' energy: -67.533 flat angles C4'-P-C4' energy: -83.694 flat angles P-C4'-P energy: -46.650 tors. eta vs tors. theta energy: -101.059 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: 7, replica: 9 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -849.021699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.021699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.021699 (E_RNA) where: Base-Base interactions energy: -540.030 where: short stacking energy: -248.936 Base-Backbone interact. energy: -1.630 local terms energy: -307.362149 where: bonds (distance) C4'-P energy: -62.616 bonds (distance) P-C4' energy: -78.385 flat angles C4'-P-C4' energy: -68.363 flat angles P-C4'-P energy: -47.540 tors. eta vs tors. theta energy: -50.458 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: 333 Temperature: 1.250000 Total energy: -624.048417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.048417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.048417 (E_RNA) where: Base-Base interactions energy: -378.092 where: short stacking energy: -172.788 Base-Backbone interact. energy: -0.651 local terms energy: -245.305658 where: bonds (distance) C4'-P energy: -52.112 bonds (distance) P-C4' energy: -67.265 flat angles C4'-P-C4' energy: -57.608 flat angles P-C4'-P energy: -40.270 tors. eta vs tors. theta energy: -28.051 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: 5 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -665.258905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.258905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.258905 (E_RNA) where: Base-Base interactions energy: -414.130 where: short stacking energy: -205.237 Base-Backbone interact. energy: -1.508 local terms energy: -249.621279 where: bonds (distance) C4'-P energy: -59.814 bonds (distance) P-C4' energy: -56.302 flat angles C4'-P-C4' energy: -60.957 flat angles P-C4'-P energy: -36.625 tors. eta vs tors. theta energy: -35.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -376.627597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.627597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.627597 (E_RNA) where: Base-Base interactions energy: -164.875 where: short stacking energy: -114.734 Base-Backbone interact. energy: -0.458 local terms energy: -211.294716 where: bonds (distance) C4'-P energy: -54.751 bonds (distance) P-C4' energy: -70.834 flat angles C4'-P-C4' energy: -60.486 flat angles P-C4'-P energy: -24.044 tors. eta vs tors. theta energy: -1.181 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: 6 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1385.419291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.419291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.419291 (E_RNA) where: Base-Base interactions energy: -957.045 where: short stacking energy: -418.102 Base-Backbone interact. energy: -1.383 local terms energy: -426.991409 where: bonds (distance) C4'-P energy: -59.255 bonds (distance) P-C4' energy: -86.087 flat angles C4'-P-C4' energy: -97.743 flat angles P-C4'-P energy: -64.343 tors. eta vs tors. theta energy: -119.564 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: 334 Temperature: 0.950000 Total energy: -1348.456691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.456691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.456691 (E_RNA) where: Base-Base interactions energy: -930.375 where: short stacking energy: -404.051 Base-Backbone interact. energy: -4.284 local terms energy: -413.798153 where: bonds (distance) C4'-P energy: -71.902 bonds (distance) P-C4' energy: -80.444 flat angles C4'-P-C4' energy: -88.504 flat angles P-C4'-P energy: -57.546 tors. eta vs tors. theta energy: -115.403 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: 4 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1332.047847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.047847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.047847 (E_RNA) where: Base-Base interactions energy: -920.285 where: short stacking energy: -403.597 Base-Backbone interact. energy: -1.393 local terms energy: -410.370244 where: bonds (distance) C4'-P energy: -69.216 bonds (distance) P-C4' energy: -69.855 flat angles C4'-P-C4' energy: -93.672 flat angles P-C4'-P energy: -58.903 tors. eta vs tors. theta energy: -118.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1233.866413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.866413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.866413 (E_RNA) where: Base-Base interactions energy: -838.740 where: short stacking energy: -374.259 Base-Backbone interact. energy: -1.050 local terms energy: -394.076144 where: bonds (distance) C4'-P energy: -71.847 bonds (distance) P-C4' energy: -70.537 flat angles C4'-P-C4' energy: -86.687 flat angles P-C4'-P energy: -55.030 tors. eta vs tors. theta energy: -109.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1176.498009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.498009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.498009 (E_RNA) where: Base-Base interactions energy: -808.556 where: short stacking energy: -340.297 Base-Backbone interact. energy: 3.068 local terms energy: -371.009572 where: bonds (distance) C4'-P energy: -72.438 bonds (distance) P-C4' energy: -74.747 flat angles C4'-P-C4' energy: -74.369 flat angles P-C4'-P energy: -53.629 tors. eta vs tors. theta energy: -95.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1172.511016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.511016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.511016 (E_RNA) where: Base-Base interactions energy: -784.891 where: short stacking energy: -333.360 Base-Backbone interact. energy: -0.956 local terms energy: -386.663500 where: bonds (distance) C4'-P energy: -80.700 bonds (distance) P-C4' energy: -75.432 flat angles C4'-P-C4' energy: -76.770 flat angles P-C4'-P energy: -50.372 tors. eta vs tors. theta energy: -103.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -846.590408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.590408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.590408 (E_RNA) where: Base-Base interactions energy: -524.572 where: short stacking energy: -246.005 Base-Backbone interact. energy: -1.807 local terms energy: -320.210934 where: bonds (distance) C4'-P energy: -70.188 bonds (distance) P-C4' energy: -65.999 flat angles C4'-P-C4' energy: -73.816 flat angles P-C4'-P energy: -55.894 tors. eta vs tors. theta energy: -54.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -722.460355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.460355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.460355 (E_RNA) where: Base-Base interactions energy: -452.309 where: short stacking energy: -198.967 Base-Backbone interact. energy: 1.271 local terms energy: -271.422452 where: bonds (distance) C4'-P energy: -67.612 bonds (distance) P-C4' energy: -63.318 flat angles C4'-P-C4' energy: -65.148 flat angles P-C4'-P energy: -39.916 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: 9, replica: 5 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -623.901387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.901387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.901387 (E_RNA) where: Base-Base interactions energy: -369.130 where: short stacking energy: -190.533 Base-Backbone interact. energy: 2.444 local terms energy: -257.215801 where: bonds (distance) C4'-P energy: -56.886 bonds (distance) P-C4' energy: -82.129 flat angles C4'-P-C4' energy: -59.384 flat angles P-C4'-P energy: -31.272 tors. eta vs tors. theta energy: -27.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -389.068165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.068165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.068165 (E_RNA) where: Base-Base interactions energy: -166.507 where: short stacking energy: -93.387 Base-Backbone interact. energy: -1.219 local terms energy: -221.342736 where: bonds (distance) C4'-P energy: -67.814 bonds (distance) P-C4' energy: -72.272 flat angles C4'-P-C4' energy: -51.762 flat angles P-C4'-P energy: -27.297 tors. eta vs tors. theta energy: -2.198 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: 6 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1394.058825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.058825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.058825 (E_RNA) where: Base-Base interactions energy: -974.160 where: short stacking energy: -412.185 Base-Backbone interact. energy: -1.610 local terms energy: -418.289021 where: bonds (distance) C4'-P energy: -72.944 bonds (distance) P-C4' energy: -79.545 flat angles C4'-P-C4' energy: -90.091 flat angles P-C4'-P energy: -61.624 tors. eta vs tors. theta energy: -114.085 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: 3 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1356.299050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.299050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.299050 (E_RNA) where: Base-Base interactions energy: -950.988 where: short stacking energy: -408.219 Base-Backbone interact. energy: -1.326 local terms energy: -403.984689 where: bonds (distance) C4'-P energy: -73.072 bonds (distance) P-C4' energy: -71.547 flat angles C4'-P-C4' energy: -91.483 flat angles P-C4'-P energy: -55.750 tors. eta vs tors. theta energy: -112.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1295.573016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.573016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.573016 (E_RNA) where: Base-Base interactions energy: -877.519 where: short stacking energy: -376.806 Base-Backbone interact. energy: -0.880 local terms energy: -417.173444 where: bonds (distance) C4'-P energy: -79.749 bonds (distance) P-C4' energy: -81.618 flat angles C4'-P-C4' energy: -83.414 flat angles P-C4'-P energy: -60.137 tors. eta vs tors. theta energy: -112.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1199.792237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.792237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.792237 (E_RNA) where: Base-Base interactions energy: -838.281 where: short stacking energy: -355.476 Base-Backbone interact. energy: 0.110 local terms energy: -361.620856 where: bonds (distance) C4'-P energy: -58.579 bonds (distance) P-C4' energy: -73.869 flat angles C4'-P-C4' energy: -86.562 flat angles P-C4'-P energy: -41.544 tors. eta vs tors. theta energy: -101.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1174.114654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.114654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.114654 (E_RNA) where: Base-Base interactions energy: -814.063 where: short stacking energy: -357.909 Base-Backbone interact. energy: -2.270 local terms energy: -357.781471 where: bonds (distance) C4'-P energy: -67.217 bonds (distance) P-C4' energy: -75.363 flat angles C4'-P-C4' energy: -63.276 flat angles P-C4'-P energy: -57.015 tors. eta vs tors. theta energy: -94.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1152.695987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.695987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.695987 (E_RNA) where: Base-Base interactions energy: -780.883 where: short stacking energy: -352.021 Base-Backbone interact. energy: 0.252 local terms energy: -372.064755 where: bonds (distance) C4'-P energy: -60.442 bonds (distance) P-C4' energy: -71.600 flat angles C4'-P-C4' energy: -76.107 flat angles P-C4'-P energy: -55.891 tors. eta vs tors. theta energy: -108.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -845.327001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.327001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.327001 (E_RNA) where: Base-Base interactions energy: -534.041 where: short stacking energy: -264.025 Base-Backbone interact. energy: -2.000 local terms energy: -309.285533 where: bonds (distance) C4'-P energy: -66.507 bonds (distance) P-C4' energy: -64.152 flat angles C4'-P-C4' energy: -69.091 flat angles P-C4'-P energy: -46.276 tors. eta vs tors. theta energy: -63.260 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: 335 Temperature: 1.250000 Total energy: -688.076051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.076051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.076051 (E_RNA) where: Base-Base interactions energy: -415.106 where: short stacking energy: -189.176 Base-Backbone interact. energy: -1.950 local terms energy: -271.020398 where: bonds (distance) C4'-P energy: -64.990 bonds (distance) P-C4' energy: -64.049 flat angles C4'-P-C4' energy: -66.781 flat angles P-C4'-P energy: -45.241 tors. eta vs tors. theta energy: -29.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -606.018101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.018101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.018101 (E_RNA) where: Base-Base interactions energy: -341.939 where: short stacking energy: -197.267 Base-Backbone interact. energy: 1.390 local terms energy: -265.469163 where: bonds (distance) C4'-P energy: -64.690 bonds (distance) P-C4' energy: -67.609 flat angles C4'-P-C4' energy: -54.537 flat angles P-C4'-P energy: -37.676 tors. eta vs tors. theta energy: -40.957 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: 10, replica: 1 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -424.661127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.661127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.661127 (E_RNA) where: Base-Base interactions energy: -176.828 where: short stacking energy: -121.694 Base-Backbone interact. energy: 0.317 local terms energy: -248.150723 where: bonds (distance) C4'-P energy: -74.482 bonds (distance) P-C4' energy: -71.917 flat angles C4'-P-C4' energy: -49.109 flat angles P-C4'-P energy: -36.455 tors. eta vs tors. theta energy: -16.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1381.108695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.108695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.108695 (E_RNA) where: Base-Base interactions energy: -962.740 where: short stacking energy: -417.614 Base-Backbone interact. energy: -1.226 local terms energy: -417.142418 where: bonds (distance) C4'-P energy: -74.354 bonds (distance) P-C4' energy: -82.093 flat angles C4'-P-C4' energy: -91.857 flat angles P-C4'-P energy: -55.609 tors. eta vs tors. theta energy: -113.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1339.539571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.539571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.539571 (E_RNA) where: Base-Base interactions energy: -946.092 where: short stacking energy: -399.328 Base-Backbone interact. energy: -2.654 local terms energy: -390.793525 where: bonds (distance) C4'-P energy: -63.943 bonds (distance) P-C4' energy: -73.753 flat angles C4'-P-C4' energy: -77.987 flat angles P-C4'-P energy: -64.547 tors. eta vs tors. theta energy: -110.563 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: 4 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1339.367963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.367963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.367963 (E_RNA) where: Base-Base interactions energy: -929.166 where: short stacking energy: -395.408 Base-Backbone interact. energy: -1.875 local terms energy: -408.327308 where: bonds (distance) C4'-P energy: -81.491 bonds (distance) P-C4' energy: -77.220 flat angles C4'-P-C4' energy: -82.250 flat angles P-C4'-P energy: -53.496 tors. eta vs tors. theta energy: -113.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1166.167362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.167362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.167362 (E_RNA) where: Base-Base interactions energy: -805.898 where: short stacking energy: -358.533 Base-Backbone interact. energy: -2.168 local terms energy: -358.102000 where: bonds (distance) C4'-P energy: -68.626 bonds (distance) P-C4' energy: -64.233 flat angles C4'-P-C4' energy: -75.347 flat angles P-C4'-P energy: -56.440 tors. eta vs tors. theta energy: -93.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1180.076336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.076336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.076336 (E_RNA) where: Base-Base interactions energy: -799.772 where: short stacking energy: -342.813 Base-Backbone interact. energy: -1.094 local terms energy: -379.209565 where: bonds (distance) C4'-P energy: -63.806 bonds (distance) P-C4' energy: -76.723 flat angles C4'-P-C4' energy: -85.599 flat angles P-C4'-P energy: -51.204 tors. eta vs tors. theta energy: -101.878 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: 336 Temperature: 1.150000 Total energy: -1129.757493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.757493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.757493 (E_RNA) where: Base-Base interactions energy: -750.365 where: short stacking energy: -340.535 Base-Backbone interact. energy: -2.264 local terms energy: -377.127991 where: bonds (distance) C4'-P energy: -79.915 bonds (distance) P-C4' energy: -67.713 flat angles C4'-P-C4' energy: -83.098 flat angles P-C4'-P energy: -53.746 tors. eta vs tors. theta energy: -92.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -848.446714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.446714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.446714 (E_RNA) where: Base-Base interactions energy: -544.499 where: short stacking energy: -240.422 Base-Backbone interact. energy: -0.838 local terms energy: -303.109040 where: bonds (distance) C4'-P energy: -59.511 bonds (distance) P-C4' energy: -67.752 flat angles C4'-P-C4' energy: -75.185 flat angles P-C4'-P energy: -38.299 tors. eta vs tors. theta energy: -62.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -753.619133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.619133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.619133 (E_RNA) where: Base-Base interactions energy: -459.781 where: short stacking energy: -222.846 Base-Backbone interact. energy: -0.628 local terms energy: -293.209740 where: bonds (distance) C4'-P energy: -66.930 bonds (distance) P-C4' energy: -69.495 flat angles C4'-P-C4' energy: -67.106 flat angles P-C4'-P energy: -34.730 tors. eta vs tors. theta energy: -54.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -608.697761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.697761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.697761 (E_RNA) where: Base-Base interactions energy: -348.376 where: short stacking energy: -194.121 Base-Backbone interact. energy: 1.464 local terms energy: -261.785901 where: bonds (distance) C4'-P energy: -61.188 bonds (distance) P-C4' energy: -67.338 flat angles C4'-P-C4' energy: -70.781 flat angles P-C4'-P energy: -28.897 tors. eta vs tors. theta energy: -33.582 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: 10, replica: 1 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -381.926836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.926836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.926836 (E_RNA) where: Base-Base interactions energy: -157.042 where: short stacking energy: -96.993 Base-Backbone interact. energy: 2.542 local terms energy: -227.427229 where: bonds (distance) C4'-P energy: -72.665 bonds (distance) P-C4' energy: -63.339 flat angles C4'-P-C4' energy: -53.677 flat angles P-C4'-P energy: -39.963 tors. eta vs tors. theta energy: 2.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1381.463300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.463300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.463300 (E_RNA) where: Base-Base interactions energy: -961.117 where: short stacking energy: -414.915 Base-Backbone interact. energy: -1.151 local terms energy: -419.195352 where: bonds (distance) C4'-P energy: -78.831 bonds (distance) P-C4' energy: -77.591 flat angles C4'-P-C4' energy: -89.847 flat angles P-C4'-P energy: -64.245 tors. eta vs tors. theta energy: -108.682 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: 3 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1368.783188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.783188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.783188 (E_RNA) where: Base-Base interactions energy: -949.139 where: short stacking energy: -412.019 Base-Backbone interact. energy: -1.491 local terms energy: -418.153081 where: bonds (distance) C4'-P energy: -82.584 bonds (distance) P-C4' energy: -75.371 flat angles C4'-P-C4' energy: -88.218 flat angles P-C4'-P energy: -53.241 tors. eta vs tors. theta energy: -118.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1331.260857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.260857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.260857 (E_RNA) where: Base-Base interactions energy: -923.826 where: short stacking energy: -390.496 Base-Backbone interact. energy: -1.835 local terms energy: -405.599665 where: bonds (distance) C4'-P energy: -74.800 bonds (distance) P-C4' energy: -74.509 flat angles C4'-P-C4' energy: -84.478 flat angles P-C4'-P energy: -53.129 tors. eta vs tors. theta energy: -118.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1258.702218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.702218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.702218 (E_RNA) where: Base-Base interactions energy: -873.907 where: short stacking energy: -375.197 Base-Backbone interact. energy: -1.582 local terms energy: -383.213128 where: bonds (distance) C4'-P energy: -73.503 bonds (distance) P-C4' energy: -68.187 flat angles C4'-P-C4' energy: -81.251 flat angles P-C4'-P energy: -44.665 tors. eta vs tors. theta energy: -115.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1223.498455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.498455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.498455 (E_RNA) where: Base-Base interactions energy: -849.459 where: short stacking energy: -370.798 Base-Backbone interact. energy: -1.383 local terms energy: -372.656724 where: bonds (distance) C4'-P energy: -60.426 bonds (distance) P-C4' energy: -67.960 flat angles C4'-P-C4' energy: -84.127 flat angles P-C4'-P energy: -53.128 tors. eta vs tors. theta energy: -107.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1148.964761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.964761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.964761 (E_RNA) where: Base-Base interactions energy: -786.288 where: short stacking energy: -354.575 Base-Backbone interact. energy: -0.691 local terms energy: -361.986086 where: bonds (distance) C4'-P energy: -64.791 bonds (distance) P-C4' energy: -60.792 flat angles C4'-P-C4' energy: -74.321 flat angles P-C4'-P energy: -59.439 tors. eta vs tors. theta energy: -102.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -891.444327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.444327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.444327 (E_RNA) where: Base-Base interactions energy: -566.228 where: short stacking energy: -272.489 Base-Backbone interact. energy: -5.198 local terms energy: -320.019090 where: bonds (distance) C4'-P energy: -75.082 bonds (distance) P-C4' energy: -69.603 flat angles C4'-P-C4' energy: -71.650 flat angles P-C4'-P energy: -36.630 tors. eta vs tors. theta energy: -67.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -756.175729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.175729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.175729 (E_RNA) where: Base-Base interactions energy: -461.661 where: short stacking energy: -225.466 Base-Backbone interact. energy: -0.047 local terms energy: -294.467320 where: bonds (distance) C4'-P energy: -68.518 bonds (distance) P-C4' energy: -71.258 flat angles C4'-P-C4' energy: -64.608 flat angles P-C4'-P energy: -44.452 tors. eta vs tors. theta energy: -45.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -620.833224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.833224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.833224 (E_RNA) where: Base-Base interactions energy: -366.557 where: short stacking energy: -186.653 Base-Backbone interact. energy: -0.782 local terms energy: -253.494882 where: bonds (distance) C4'-P energy: -71.784 bonds (distance) P-C4' energy: -62.870 flat angles C4'-P-C4' energy: -63.328 flat angles P-C4'-P energy: -25.415 tors. eta vs tors. theta energy: -30.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -335.022133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.022133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.022133 (E_RNA) where: Base-Base interactions energy: -133.211 where: short stacking energy: -73.897 Base-Backbone interact. energy: -1.277 local terms energy: -200.534759 where: bonds (distance) C4'-P energy: -72.077 bonds (distance) P-C4' energy: -69.145 flat angles C4'-P-C4' energy: -63.092 flat angles P-C4'-P energy: -27.420 tors. eta vs tors. theta energy: 31.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1359.552719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.552719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.552719 (E_RNA) where: Base-Base interactions energy: -939.077 where: short stacking energy: -410.533 Base-Backbone interact. energy: -1.088 local terms energy: -419.387974 where: bonds (distance) C4'-P energy: -76.854 bonds (distance) P-C4' energy: -75.704 flat angles C4'-P-C4' energy: -93.288 flat angles P-C4'-P energy: -59.693 tors. eta vs tors. theta energy: -113.850 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: 338 Temperature: 0.950000 Total energy: -1354.178431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.178431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.178431 (E_RNA) where: Base-Base interactions energy: -952.159 where: short stacking energy: -410.346 Base-Backbone interact. energy: -3.449 local terms energy: -398.569765 where: bonds (distance) C4'-P energy: -68.808 bonds (distance) P-C4' energy: -71.317 flat angles C4'-P-C4' energy: -80.804 flat angles P-C4'-P energy: -58.103 tors. eta vs tors. theta energy: -119.538 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: 4 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1341.715114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.715114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.715114 (E_RNA) where: Base-Base interactions energy: -911.960 where: short stacking energy: -404.408 Base-Backbone interact. energy: -1.565 local terms energy: -428.190389 where: bonds (distance) C4'-P energy: -73.972 bonds (distance) P-C4' energy: -75.198 flat angles C4'-P-C4' energy: -93.863 flat angles P-C4'-P energy: -58.343 tors. eta vs tors. theta energy: -126.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1224.893562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.893562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.893562 (E_RNA) where: Base-Base interactions energy: -843.144 where: short stacking energy: -377.019 Base-Backbone interact. energy: -1.668 local terms energy: -380.082170 where: bonds (distance) C4'-P energy: -69.413 bonds (distance) P-C4' energy: -67.327 flat angles C4'-P-C4' energy: -83.721 flat angles P-C4'-P energy: -49.386 tors. eta vs tors. theta energy: -110.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1216.823768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.823768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.823768 (E_RNA) where: Base-Base interactions energy: -838.421 where: short stacking energy: -351.766 Base-Backbone interact. energy: -3.752 local terms energy: -374.651078 where: bonds (distance) C4'-P energy: -67.724 bonds (distance) P-C4' energy: -63.768 flat angles C4'-P-C4' energy: -80.607 flat angles P-C4'-P energy: -61.939 tors. eta vs tors. theta energy: -100.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1116.343751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.343751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.343751 (E_RNA) where: Base-Base interactions energy: -745.380 where: short stacking energy: -346.495 Base-Backbone interact. energy: 1.491 local terms energy: -372.455334 where: bonds (distance) C4'-P energy: -68.796 bonds (distance) P-C4' energy: -66.015 flat angles C4'-P-C4' energy: -86.800 flat angles P-C4'-P energy: -49.419 tors. eta vs tors. theta energy: -101.426 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: 9 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -888.704633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.704633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.704633 (E_RNA) where: Base-Base interactions energy: -573.977 where: short stacking energy: -260.534 Base-Backbone interact. energy: -2.109 local terms energy: -312.618361 where: bonds (distance) C4'-P energy: -70.596 bonds (distance) P-C4' energy: -75.658 flat angles C4'-P-C4' energy: -62.956 flat angles P-C4'-P energy: -37.106 tors. eta vs tors. theta energy: -66.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -658.403317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.403317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.403317 (E_RNA) where: Base-Base interactions energy: -382.274 where: short stacking energy: -166.530 Base-Backbone interact. energy: -0.488 local terms energy: -275.641870 where: bonds (distance) C4'-P energy: -69.329 bonds (distance) P-C4' energy: -64.914 flat angles C4'-P-C4' energy: -67.758 flat angles P-C4'-P energy: -50.733 tors. eta vs tors. theta energy: -22.908 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: 9, replica: 5 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -676.083968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.083968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.083968 (E_RNA) where: Base-Base interactions energy: -404.025 where: short stacking energy: -201.606 Base-Backbone interact. energy: -0.404 local terms energy: -271.655530 where: bonds (distance) C4'-P energy: -54.798 bonds (distance) P-C4' energy: -58.332 flat angles C4'-P-C4' energy: -65.604 flat angles P-C4'-P energy: -38.510 tors. eta vs tors. theta energy: -54.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -336.055076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.055076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.055076 (E_RNA) where: Base-Base interactions energy: -114.778 where: short stacking energy: -91.914 Base-Backbone interact. energy: 0.255 local terms energy: -221.532528 where: bonds (distance) C4'-P energy: -63.009 bonds (distance) P-C4' energy: -79.937 flat angles C4'-P-C4' energy: -58.493 flat angles P-C4'-P energy: -34.580 tors. eta vs tors. theta energy: 14.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1389.027031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.027031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.027031 (E_RNA) where: Base-Base interactions energy: -956.523 where: short stacking energy: -403.318 Base-Backbone interact. energy: -1.213 local terms energy: -431.290713 where: bonds (distance) C4'-P energy: -88.099 bonds (distance) P-C4' energy: -77.809 flat angles C4'-P-C4' energy: -89.889 flat angles P-C4'-P energy: -57.691 tors. eta vs tors. theta energy: -117.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1358.428779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.428779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.428779 (E_RNA) where: Base-Base interactions energy: -932.017 where: short stacking energy: -411.198 Base-Backbone interact. energy: 0.286 local terms energy: -426.698493 where: bonds (distance) C4'-P energy: -84.972 bonds (distance) P-C4' energy: -79.335 flat angles C4'-P-C4' energy: -81.059 flat angles P-C4'-P energy: -48.484 tors. eta vs tors. theta energy: -132.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1355.410251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.410251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.410251 (E_RNA) where: Base-Base interactions energy: -930.645 where: short stacking energy: -393.744 Base-Backbone interact. energy: -1.942 local terms energy: -422.823136 where: bonds (distance) C4'-P energy: -76.872 bonds (distance) P-C4' energy: -79.131 flat angles C4'-P-C4' energy: -90.201 flat angles P-C4'-P energy: -65.203 tors. eta vs tors. theta energy: -111.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1223.158224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.158224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.158224 (E_RNA) where: Base-Base interactions energy: -853.665 where: short stacking energy: -369.551 Base-Backbone interact. energy: -1.257 local terms energy: -368.236160 where: bonds (distance) C4'-P energy: -70.070 bonds (distance) P-C4' energy: -72.967 flat angles C4'-P-C4' energy: -69.207 flat angles P-C4'-P energy: -54.692 tors. eta vs tors. theta energy: -101.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1172.400636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.400636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.400636 (E_RNA) where: Base-Base interactions energy: -800.333 where: short stacking energy: -353.636 Base-Backbone interact. energy: -0.532 local terms energy: -371.536175 where: bonds (distance) C4'-P energy: -70.809 bonds (distance) P-C4' energy: -62.937 flat angles C4'-P-C4' energy: -81.407 flat angles P-C4'-P energy: -57.608 tors. eta vs tors. theta energy: -98.776 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: 7 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1122.842215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.842215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.842215 (E_RNA) where: Base-Base interactions energy: -743.061 where: short stacking energy: -331.865 Base-Backbone interact. energy: 2.051 local terms energy: -381.831958 where: bonds (distance) C4'-P energy: -74.912 bonds (distance) P-C4' energy: -70.588 flat angles C4'-P-C4' energy: -88.009 flat angles P-C4'-P energy: -52.347 tors. eta vs tors. theta energy: -95.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -912.836478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.836478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.836478 (E_RNA) where: Base-Base interactions energy: -581.894 where: short stacking energy: -282.692 Base-Backbone interact. energy: -1.166 local terms energy: -329.776574 where: bonds (distance) C4'-P energy: -59.754 bonds (distance) P-C4' energy: -63.376 flat angles C4'-P-C4' energy: -77.446 flat angles P-C4'-P energy: -50.323 tors. eta vs tors. theta energy: -78.878 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: 8, replica: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -740.859779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.859779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.859779 (E_RNA) where: Base-Base interactions energy: -472.728 where: short stacking energy: -224.298 Base-Backbone interact. energy: -2.664 local terms energy: -265.467821 where: bonds (distance) C4'-P energy: -59.527 bonds (distance) P-C4' energy: -60.243 flat angles C4'-P-C4' energy: -68.000 flat angles P-C4'-P energy: -32.932 tors. eta vs tors. theta energy: -44.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -556.993139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.993139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.993139 (E_RNA) where: Base-Base interactions energy: -318.865 where: short stacking energy: -149.793 Base-Backbone interact. energy: -0.115 local terms energy: -238.012627 where: bonds (distance) C4'-P energy: -59.508 bonds (distance) P-C4' energy: -71.774 flat angles C4'-P-C4' energy: -63.621 flat angles P-C4'-P energy: -35.541 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: 10, replica: 1 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -332.974987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.974987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.974987 (E_RNA) where: Base-Base interactions energy: -156.800 where: short stacking energy: -87.512 Base-Backbone interact. energy: 1.901 local terms energy: -178.075952 where: bonds (distance) C4'-P energy: -53.149 bonds (distance) P-C4' energy: -65.332 flat angles C4'-P-C4' energy: -50.878 flat angles P-C4'-P energy: -25.168 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: 1, replica: 6 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1383.380645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.380645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.380645 (E_RNA) where: Base-Base interactions energy: -962.118 where: short stacking energy: -415.201 Base-Backbone interact. energy: -0.671 local terms energy: -420.591228 where: bonds (distance) C4'-P energy: -71.914 bonds (distance) P-C4' energy: -84.229 flat angles C4'-P-C4' energy: -93.665 flat angles P-C4'-P energy: -58.633 tors. eta vs tors. theta energy: -112.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1361.473107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.473107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.473107 (E_RNA) where: Base-Base interactions energy: -933.597 where: short stacking energy: -413.356 Base-Backbone interact. energy: -0.095 local terms energy: -427.781038 where: bonds (distance) C4'-P energy: -77.230 bonds (distance) P-C4' energy: -74.490 flat angles C4'-P-C4' energy: -88.436 flat angles P-C4'-P energy: -60.343 tors. eta vs tors. theta energy: -127.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1317.394671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.394671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.394671 (E_RNA) where: Base-Base interactions energy: -906.311 where: short stacking energy: -391.853 Base-Backbone interact. energy: -4.985 local terms energy: -406.098914 where: bonds (distance) C4'-P energy: -62.874 bonds (distance) P-C4' energy: -86.972 flat angles C4'-P-C4' energy: -83.987 flat angles P-C4'-P energy: -60.464 tors. eta vs tors. theta energy: -111.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1247.537047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.537047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.537047 (E_RNA) where: Base-Base interactions energy: -862.858 where: short stacking energy: -370.712 Base-Backbone interact. energy: -0.709 local terms energy: -383.970245 where: bonds (distance) C4'-P energy: -62.703 bonds (distance) P-C4' energy: -75.440 flat angles C4'-P-C4' energy: -69.287 flat angles P-C4'-P energy: -56.903 tors. eta vs tors. theta energy: -119.636 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: 7 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1097.712100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.712100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.712100 (E_RNA) where: Base-Base interactions energy: -731.358 where: short stacking energy: -341.897 Base-Backbone interact. energy: -0.701 local terms energy: -365.652298 where: bonds (distance) C4'-P energy: -61.324 bonds (distance) P-C4' energy: -72.741 flat angles C4'-P-C4' energy: -83.282 flat angles P-C4'-P energy: -55.982 tors. eta vs tors. theta energy: -92.324 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: 10 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1105.246055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.246055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.246055 (E_RNA) where: Base-Base interactions energy: -792.278 where: short stacking energy: -327.229 Base-Backbone interact. energy: -1.772 local terms energy: -311.195504 where: bonds (distance) C4'-P energy: -68.538 bonds (distance) P-C4' energy: -59.273 flat angles C4'-P-C4' energy: -59.981 flat angles P-C4'-P energy: -37.296 tors. eta vs tors. theta energy: -86.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -918.005815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.005815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.005815 (E_RNA) where: Base-Base interactions energy: -608.380 where: short stacking energy: -279.885 Base-Backbone interact. energy: -1.086 local terms energy: -308.539378 where: bonds (distance) C4'-P energy: -73.646 bonds (distance) P-C4' energy: -55.787 flat angles C4'-P-C4' energy: -66.472 flat angles P-C4'-P energy: -48.787 tors. eta vs tors. theta energy: -63.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -722.107352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.107352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.107352 (E_RNA) where: Base-Base interactions energy: -439.411 where: short stacking energy: -225.391 Base-Backbone interact. energy: -0.440 local terms energy: -282.255953 where: bonds (distance) C4'-P energy: -64.018 bonds (distance) P-C4' energy: -64.046 flat angles C4'-P-C4' energy: -63.549 flat angles P-C4'-P energy: -41.821 tors. eta vs tors. theta energy: -48.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -447.012576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.012576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.012576 (E_RNA) where: Base-Base interactions energy: -216.137 where: short stacking energy: -133.117 Base-Backbone interact. energy: 3.019 local terms energy: -233.894279 where: bonds (distance) C4'-P energy: -48.237 bonds (distance) P-C4' energy: -71.798 flat angles C4'-P-C4' energy: -72.742 flat angles P-C4'-P energy: -28.219 tors. eta vs tors. theta energy: -12.898 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: 340 Temperature: 1.350000 Total energy: -317.170771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.170771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.170771 (E_RNA) where: Base-Base interactions energy: -123.705 where: short stacking energy: -103.734 Base-Backbone interact. energy: 2.615 local terms energy: -196.080642 where: bonds (distance) C4'-P energy: -75.241 bonds (distance) P-C4' energy: -56.589 flat angles C4'-P-C4' energy: -40.410 flat angles P-C4'-P energy: -24.460 tors. eta vs tors. theta energy: 0.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1376.863472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.863472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.863472 (E_RNA) where: Base-Base interactions energy: -952.675 where: short stacking energy: -422.554 Base-Backbone interact. energy: -1.061 local terms energy: -423.127582 where: bonds (distance) C4'-P energy: -84.284 bonds (distance) P-C4' energy: -73.564 flat angles C4'-P-C4' energy: -93.182 flat angles P-C4'-P energy: -58.807 tors. eta vs tors. theta energy: -113.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1365.853476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.853476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.853476 (E_RNA) where: Base-Base interactions energy: -933.719 where: short stacking energy: -409.302 Base-Backbone interact. energy: -0.514 local terms energy: -431.620578 where: bonds (distance) C4'-P energy: -77.308 bonds (distance) P-C4' energy: -75.466 flat angles C4'-P-C4' energy: -87.137 flat angles P-C4'-P energy: -61.004 tors. eta vs tors. theta energy: -130.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1313.138546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.138546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.138546 (E_RNA) where: Base-Base interactions energy: -933.214 where: short stacking energy: -414.389 Base-Backbone interact. energy: -3.506 local terms energy: -376.418321 where: bonds (distance) C4'-P energy: -62.465 bonds (distance) P-C4' energy: -73.923 flat angles C4'-P-C4' energy: -81.420 flat angles P-C4'-P energy: -47.493 tors. eta vs tors. theta energy: -111.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1232.986623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.986623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.986623 (E_RNA) where: Base-Base interactions energy: -836.823 where: short stacking energy: -373.595 Base-Backbone interact. energy: -1.179 local terms energy: -394.984316 where: bonds (distance) C4'-P energy: -70.739 bonds (distance) P-C4' energy: -80.687 flat angles C4'-P-C4' energy: -82.573 flat angles P-C4'-P energy: -55.150 tors. eta vs tors. theta energy: -105.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1125.748612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.748612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.748612 (E_RNA) where: Base-Base interactions energy: -750.076 where: short stacking energy: -325.902 Base-Backbone interact. energy: -2.478 local terms energy: -373.194140 where: bonds (distance) C4'-P energy: -73.588 bonds (distance) P-C4' energy: -72.404 flat angles C4'-P-C4' energy: -71.843 flat angles P-C4'-P energy: -50.483 tors. eta vs tors. theta energy: -104.877 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: 6, replica: 10 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1120.864018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.864018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.864018 (E_RNA) where: Base-Base interactions energy: -778.265 where: short stacking energy: -325.909 Base-Backbone interact. energy: 2.400 local terms energy: -344.999089 where: bonds (distance) C4'-P energy: -65.432 bonds (distance) P-C4' energy: -59.190 flat angles C4'-P-C4' energy: -80.537 flat angles P-C4'-P energy: -47.473 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: 7, replica: 9 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -869.306412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.306412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.306412 (E_RNA) where: Base-Base interactions energy: -574.008 where: short stacking energy: -250.010 Base-Backbone interact. energy: 1.151 local terms energy: -296.449530 where: bonds (distance) C4'-P energy: -67.437 bonds (distance) P-C4' energy: -69.876 flat angles C4'-P-C4' energy: -54.084 flat angles P-C4'-P energy: -43.907 tors. eta vs tors. theta energy: -61.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -715.019487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.019487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.019487 (E_RNA) where: Base-Base interactions energy: -438.776 where: short stacking energy: -208.881 Base-Backbone interact. energy: -2.604 local terms energy: -273.639329 where: bonds (distance) C4'-P energy: -61.582 bonds (distance) P-C4' energy: -74.361 flat angles C4'-P-C4' energy: -56.382 flat angles P-C4'-P energy: -40.946 tors. eta vs tors. theta energy: -40.368 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: 8 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -400.441623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.441623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.441623 (E_RNA) where: Base-Base interactions energy: -180.545 where: short stacking energy: -120.697 Base-Backbone interact. energy: -1.161 local terms energy: -218.735533 where: bonds (distance) C4'-P energy: -63.418 bonds (distance) P-C4' energy: -64.130 flat angles C4'-P-C4' energy: -64.631 flat angles P-C4'-P energy: -36.681 tors. eta vs tors. theta energy: 10.124 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: 10, replica: 1 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -329.507884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.507884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.507884 (E_RNA) where: Base-Base interactions energy: -125.685 where: short stacking energy: -108.373 Base-Backbone interact. energy: 2.426 local terms energy: -206.248914 where: bonds (distance) C4'-P energy: -53.653 bonds (distance) P-C4' energy: -73.816 flat angles C4'-P-C4' energy: -58.507 flat angles P-C4'-P energy: -22.285 tors. eta vs tors. theta energy: 2.013 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: 342 Temperature: 0.900000 Total energy: -1405.138306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.138306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.138306 (E_RNA) where: Base-Base interactions energy: -952.479 where: short stacking energy: -416.209 Base-Backbone interact. energy: -6.208 local terms energy: -446.451294 where: bonds (distance) C4'-P energy: -80.921 bonds (distance) P-C4' energy: -76.371 flat angles C4'-P-C4' energy: -95.971 flat angles P-C4'-P energy: -65.600 tors. eta vs tors. theta energy: -127.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1331.026997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.026997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.026997 (E_RNA) where: Base-Base interactions energy: -925.926 where: short stacking energy: -405.612 Base-Backbone interact. energy: -1.661 local terms energy: -403.439566 where: bonds (distance) C4'-P energy: -75.526 bonds (distance) P-C4' energy: -69.605 flat angles C4'-P-C4' energy: -92.130 flat angles P-C4'-P energy: -50.527 tors. eta vs tors. theta energy: -115.652 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: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1329.420189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.420189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.420189 (E_RNA) where: Base-Base interactions energy: -929.883 where: short stacking energy: -395.933 Base-Backbone interact. energy: -2.221 local terms energy: -397.316324 where: bonds (distance) C4'-P energy: -59.130 bonds (distance) P-C4' energy: -78.459 flat angles C4'-P-C4' energy: -88.886 flat angles P-C4'-P energy: -59.437 tors. eta vs tors. theta energy: -111.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1230.657841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.657841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.657841 (E_RNA) where: Base-Base interactions energy: -856.916 where: short stacking energy: -361.215 Base-Backbone interact. energy: 0.247 local terms energy: -373.989315 where: bonds (distance) C4'-P energy: -72.332 bonds (distance) P-C4' energy: -73.169 flat angles C4'-P-C4' energy: -80.771 flat angles P-C4'-P energy: -44.730 tors. eta vs tors. theta energy: -102.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1170.866236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.866236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.866236 (E_RNA) where: Base-Base interactions energy: -803.582 where: short stacking energy: -360.655 Base-Backbone interact. energy: -2.241 local terms energy: -365.043679 where: bonds (distance) C4'-P energy: -62.869 bonds (distance) P-C4' energy: -70.724 flat angles C4'-P-C4' energy: -81.738 flat angles P-C4'-P energy: -42.241 tors. eta vs tors. theta energy: -107.471 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: 6, replica: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1091.042506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.042506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.042506 (E_RNA) where: Base-Base interactions energy: -745.021 where: short stacking energy: -345.596 Base-Backbone interact. energy: -0.719 local terms energy: -345.302265 where: bonds (distance) C4'-P energy: -58.654 bonds (distance) P-C4' energy: -65.789 flat angles C4'-P-C4' energy: -80.690 flat angles P-C4'-P energy: -46.323 tors. eta vs tors. theta energy: -93.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -875.309947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.309947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.309947 (E_RNA) where: Base-Base interactions energy: -597.334 where: short stacking energy: -280.434 Base-Backbone interact. energy: -1.693 local terms energy: -276.282781 where: bonds (distance) C4'-P energy: -70.614 bonds (distance) P-C4' energy: -57.339 flat angles C4'-P-C4' energy: -62.447 flat angles P-C4'-P energy: -28.784 tors. eta vs tors. theta energy: -57.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -723.416335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.416335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.416335 (E_RNA) where: Base-Base interactions energy: -437.150 where: short stacking energy: -228.523 Base-Backbone interact. energy: 2.345 local terms energy: -288.611455 where: bonds (distance) C4'-P energy: -64.796 bonds (distance) P-C4' energy: -65.149 flat angles C4'-P-C4' energy: -65.433 flat angles P-C4'-P energy: -45.845 tors. eta vs tors. theta energy: -47.389 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: 1 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -345.350425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.350425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.350425 (E_RNA) where: Base-Base interactions energy: -121.544 where: short stacking energy: -101.733 Base-Backbone interact. energy: 4.634 local terms energy: -228.439935 where: bonds (distance) C4'-P energy: -70.003 bonds (distance) P-C4' energy: -63.109 flat angles C4'-P-C4' energy: -63.770 flat angles P-C4'-P energy: -38.600 tors. eta vs tors. theta energy: 7.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -404.736680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.736680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.736680 (E_RNA) where: Base-Base interactions energy: -187.623 where: short stacking energy: -117.199 Base-Backbone interact. energy: 1.150 local terms energy: -218.263659 where: bonds (distance) C4'-P energy: -73.819 bonds (distance) P-C4' energy: -57.811 flat angles C4'-P-C4' energy: -52.575 flat angles P-C4'-P energy: -33.970 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: 4 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1398.677977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.677977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.677977 (E_RNA) where: Base-Base interactions energy: -962.788 where: short stacking energy: -425.900 Base-Backbone interact. energy: -0.986 local terms energy: -434.903831 where: bonds (distance) C4'-P energy: -79.341 bonds (distance) P-C4' energy: -76.111 flat angles C4'-P-C4' energy: -90.634 flat angles P-C4'-P energy: -62.049 tors. eta vs tors. theta energy: -126.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1380.299378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.299378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.299378 (E_RNA) where: Base-Base interactions energy: -947.881 where: short stacking energy: -408.953 Base-Backbone interact. energy: -2.298 local terms energy: -430.121020 where: bonds (distance) C4'-P energy: -76.695 bonds (distance) P-C4' energy: -74.701 flat angles C4'-P-C4' energy: -97.337 flat angles P-C4'-P energy: -63.559 tors. eta vs tors. theta energy: -117.829 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: 6 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1308.685784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.685784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.685784 (E_RNA) where: Base-Base interactions energy: -904.635 where: short stacking energy: -396.962 Base-Backbone interact. energy: 1.197 local terms energy: -405.247970 where: bonds (distance) C4'-P energy: -70.689 bonds (distance) P-C4' energy: -84.363 flat angles C4'-P-C4' energy: -88.182 flat angles P-C4'-P energy: -44.638 tors. eta vs tors. theta energy: -117.376 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: 343 Temperature: 1.050000 Total energy: -1250.381309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.381309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.381309 (E_RNA) where: Base-Base interactions energy: -873.412 where: short stacking energy: -376.224 Base-Backbone interact. energy: -1.515 local terms energy: -375.453813 where: bonds (distance) C4'-P energy: -68.682 bonds (distance) P-C4' energy: -65.940 flat angles C4'-P-C4' energy: -85.570 flat angles P-C4'-P energy: -41.011 tors. eta vs tors. theta energy: -114.250 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: 10 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1167.408718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.408718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.408718 (E_RNA) where: Base-Base interactions energy: -776.133 where: short stacking energy: -354.401 Base-Backbone interact. energy: -0.978 local terms energy: -390.297733 where: bonds (distance) C4'-P energy: -70.857 bonds (distance) P-C4' energy: -71.672 flat angles C4'-P-C4' energy: -82.113 flat angles P-C4'-P energy: -62.124 tors. eta vs tors. theta energy: -103.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1117.259402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.259402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.259402 (E_RNA) where: Base-Base interactions energy: -749.306 where: short stacking energy: -357.027 Base-Backbone interact. energy: -0.427 local terms energy: -367.526077 where: bonds (distance) C4'-P energy: -69.518 bonds (distance) P-C4' energy: -73.157 flat angles C4'-P-C4' energy: -84.277 flat angles P-C4'-P energy: -39.127 tors. eta vs tors. theta energy: -101.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -886.421973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.421973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.421973 (E_RNA) where: Base-Base interactions energy: -566.781 where: short stacking energy: -242.023 Base-Backbone interact. energy: -1.231 local terms energy: -318.410005 where: bonds (distance) C4'-P energy: -71.853 bonds (distance) P-C4' energy: -69.358 flat angles C4'-P-C4' energy: -69.445 flat angles P-C4'-P energy: -47.073 tors. eta vs tors. theta energy: -60.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -677.246390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.246390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.246390 (E_RNA) where: Base-Base interactions energy: -405.837 where: short stacking energy: -183.857 Base-Backbone interact. energy: -2.083 local terms energy: -269.326639 where: bonds (distance) C4'-P energy: -61.901 bonds (distance) P-C4' energy: -78.674 flat angles C4'-P-C4' energy: -65.247 flat angles P-C4'-P energy: -33.204 tors. eta vs tors. theta energy: -30.300 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: 1 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -357.683626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.683626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.683626 (E_RNA) where: Base-Base interactions energy: -124.369 where: short stacking energy: -104.490 Base-Backbone interact. energy: 0.400 local terms energy: -233.714921 where: bonds (distance) C4'-P energy: -74.277 bonds (distance) P-C4' energy: -73.895 flat angles C4'-P-C4' energy: -53.816 flat angles P-C4'-P energy: -34.837 tors. eta vs tors. theta energy: 3.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -417.723481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.723481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.723481 (E_RNA) where: Base-Base interactions energy: -205.463 where: short stacking energy: -134.873 Base-Backbone interact. energy: -1.902 local terms energy: -210.358642 where: bonds (distance) C4'-P energy: -38.497 bonds (distance) P-C4' energy: -62.130 flat angles C4'-P-C4' energy: -55.369 flat angles P-C4'-P energy: -43.904 tors. eta vs tors. theta energy: -10.458 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: 4 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1386.473118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.473118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.473118 (E_RNA) where: Base-Base interactions energy: -937.297 where: short stacking energy: -409.363 Base-Backbone interact. energy: -1.190 local terms energy: -447.985905 where: bonds (distance) C4'-P energy: -86.964 bonds (distance) P-C4' energy: -84.416 flat angles C4'-P-C4' energy: -92.762 flat angles P-C4'-P energy: -53.161 tors. eta vs tors. theta energy: -130.682 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: 3 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1354.372212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.372212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.372212 (E_RNA) where: Base-Base interactions energy: -932.880 where: short stacking energy: -392.127 Base-Backbone interact. energy: -0.132 local terms energy: -421.359645 where: bonds (distance) C4'-P energy: -77.628 bonds (distance) P-C4' energy: -79.130 flat angles C4'-P-C4' energy: -85.650 flat angles P-C4'-P energy: -62.292 tors. eta vs tors. theta energy: -116.661 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: 6 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1303.328127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.328127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.328127 (E_RNA) where: Base-Base interactions energy: -897.797 where: short stacking energy: -374.103 Base-Backbone interact. energy: -1.049 local terms energy: -404.481992 where: bonds (distance) C4'-P energy: -75.113 bonds (distance) P-C4' energy: -77.212 flat angles C4'-P-C4' energy: -88.321 flat angles P-C4'-P energy: -56.545 tors. eta vs tors. theta energy: -107.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1242.998259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.998259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.998259 (E_RNA) where: Base-Base interactions energy: -857.768 where: short stacking energy: -355.218 Base-Backbone interact. energy: -0.345 local terms energy: -384.884361 where: bonds (distance) C4'-P energy: -79.533 bonds (distance) P-C4' energy: -60.273 flat angles C4'-P-C4' energy: -85.968 flat angles P-C4'-P energy: -52.959 tors. eta vs tors. theta energy: -106.151 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: 10 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1164.706411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.706411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.706411 (E_RNA) where: Base-Base interactions energy: -792.460 where: short stacking energy: -352.840 Base-Backbone interact. energy: 2.112 local terms energy: -374.357778 where: bonds (distance) C4'-P energy: -73.343 bonds (distance) P-C4' energy: -68.073 flat angles C4'-P-C4' energy: -80.918 flat angles P-C4'-P energy: -53.195 tors. eta vs tors. theta energy: -98.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1103.642140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.642140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.642140 (E_RNA) where: Base-Base interactions energy: -746.466 where: short stacking energy: -349.057 Base-Backbone interact. energy: 1.361 local terms energy: -358.536894 where: bonds (distance) C4'-P energy: -72.558 bonds (distance) P-C4' energy: -65.838 flat angles C4'-P-C4' energy: -79.120 flat angles P-C4'-P energy: -46.675 tors. eta vs tors. theta energy: -94.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -871.006177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.006177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.006177 (E_RNA) where: Base-Base interactions energy: -563.963 where: short stacking energy: -255.595 Base-Backbone interact. energy: -1.054 local terms energy: -305.989350 where: bonds (distance) C4'-P energy: -67.425 bonds (distance) P-C4' energy: -71.661 flat angles C4'-P-C4' energy: -72.466 flat angles P-C4'-P energy: -39.894 tors. eta vs tors. theta energy: -54.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -682.130612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.130612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.130612 (E_RNA) where: Base-Base interactions energy: -403.829 where: short stacking energy: -213.159 Base-Backbone interact. energy: -1.919 local terms energy: -276.382733 where: bonds (distance) C4'-P energy: -49.195 bonds (distance) P-C4' energy: -65.207 flat angles C4'-P-C4' energy: -79.932 flat angles P-C4'-P energy: -47.819 tors. eta vs tors. theta energy: -34.230 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: 344 Temperature: 1.300000 Total energy: -361.951601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.951601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.951601 (E_RNA) where: Base-Base interactions energy: -147.152 where: short stacking energy: -97.913 Base-Backbone interact. energy: 1.961 local terms energy: -216.760745 where: bonds (distance) C4'-P energy: -74.627 bonds (distance) P-C4' energy: -68.336 flat angles C4'-P-C4' energy: -48.440 flat angles P-C4'-P energy: -36.720 tors. eta vs tors. theta energy: 11.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -320.454321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.454321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.454321 (E_RNA) where: Base-Base interactions energy: -107.095 where: short stacking energy: -94.944 Base-Backbone interact. energy: 3.238 local terms energy: -216.597247 where: bonds (distance) C4'-P energy: -58.220 bonds (distance) P-C4' energy: -71.472 flat angles C4'-P-C4' energy: -56.054 flat angles P-C4'-P energy: -31.692 tors. eta vs tors. theta energy: 0.840 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: 1, replica: 4 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1381.700047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.700047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.700047 (E_RNA) where: Base-Base interactions energy: -932.152 where: short stacking energy: -405.796 Base-Backbone interact. energy: -3.227 local terms energy: -446.320628 where: bonds (distance) C4'-P energy: -84.050 bonds (distance) P-C4' energy: -85.462 flat angles C4'-P-C4' energy: -88.573 flat angles P-C4'-P energy: -66.251 tors. eta vs tors. theta energy: -121.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1362.791265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.791265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.791265 (E_RNA) where: Base-Base interactions energy: -920.324 where: short stacking energy: -418.054 Base-Backbone interact. energy: -3.149 local terms energy: -439.318437 where: bonds (distance) C4'-P energy: -85.080 bonds (distance) P-C4' energy: -81.349 flat angles C4'-P-C4' energy: -89.158 flat angles P-C4'-P energy: -59.862 tors. eta vs tors. theta energy: -123.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1293.754130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.754130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.754130 (E_RNA) where: Base-Base interactions energy: -891.427 where: short stacking energy: -408.967 Base-Backbone interact. energy: -0.489 local terms energy: -401.838329 where: bonds (distance) C4'-P energy: -67.131 bonds (distance) P-C4' energy: -76.061 flat angles C4'-P-C4' energy: -87.944 flat angles P-C4'-P energy: -54.765 tors. eta vs tors. theta energy: -115.937 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: 345 Temperature: 1.050000 Total energy: -1220.654498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.654498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.654498 (E_RNA) where: Base-Base interactions energy: -838.258 where: short stacking energy: -357.032 Base-Backbone interact. energy: 0.342 local terms energy: -382.738022 where: bonds (distance) C4'-P energy: -74.571 bonds (distance) P-C4' energy: -67.690 flat angles C4'-P-C4' energy: -86.556 flat angles P-C4'-P energy: -57.173 tors. eta vs tors. theta energy: -96.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1171.363007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.363007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.363007 (E_RNA) where: Base-Base interactions energy: -790.860 where: short stacking energy: -339.081 Base-Backbone interact. energy: -0.683 local terms energy: -379.820158 where: bonds (distance) C4'-P energy: -73.085 bonds (distance) P-C4' energy: -70.402 flat angles C4'-P-C4' energy: -85.383 flat angles P-C4'-P energy: -58.213 tors. eta vs tors. theta energy: -92.737 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: 7 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1105.400819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.400819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.400819 (E_RNA) where: Base-Base interactions energy: -746.026 where: short stacking energy: -346.821 Base-Backbone interact. energy: 0.009 local terms energy: -359.383810 where: bonds (distance) C4'-P energy: -68.120 bonds (distance) P-C4' energy: -70.994 flat angles C4'-P-C4' energy: -81.506 flat angles P-C4'-P energy: -43.939 tors. eta vs tors. theta energy: -94.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -842.623987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.623987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.623987 (E_RNA) where: Base-Base interactions energy: -518.880 where: short stacking energy: -234.909 Base-Backbone interact. energy: -1.714 local terms energy: -322.030182 where: bonds (distance) C4'-P energy: -74.455 bonds (distance) P-C4' energy: -74.669 flat angles C4'-P-C4' energy: -72.278 flat angles P-C4'-P energy: -57.107 tors. eta vs tors. theta energy: -43.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -640.969050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.969050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.969050 (E_RNA) where: Base-Base interactions energy: -366.756 where: short stacking energy: -194.100 Base-Backbone interact. energy: -1.463 local terms energy: -272.750325 where: bonds (distance) C4'-P energy: -54.429 bonds (distance) P-C4' energy: -73.012 flat angles C4'-P-C4' energy: -77.576 flat angles P-C4'-P energy: -34.706 tors. eta vs tors. theta energy: -33.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -381.422386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.422386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.422386 (E_RNA) where: Base-Base interactions energy: -155.381 where: short stacking energy: -94.194 Base-Backbone interact. energy: -1.668 local terms energy: -224.373752 where: bonds (distance) C4'-P energy: -73.107 bonds (distance) P-C4' energy: -64.960 flat angles C4'-P-C4' energy: -55.404 flat angles P-C4'-P energy: -39.009 tors. eta vs tors. theta energy: 8.107 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: 1 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -338.510314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.510314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.510314 (E_RNA) where: Base-Base interactions energy: -127.793 where: short stacking energy: -106.611 Base-Backbone interact. energy: -0.759 local terms energy: -209.958522 where: bonds (distance) C4'-P energy: -60.335 bonds (distance) P-C4' energy: -69.514 flat angles C4'-P-C4' energy: -69.574 flat angles P-C4'-P energy: -17.838 tors. eta vs tors. theta energy: 7.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1377.728137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.728137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.728137 (E_RNA) where: Base-Base interactions energy: -944.585 where: short stacking energy: -418.323 Base-Backbone interact. energy: -1.941 local terms energy: -431.202018 where: bonds (distance) C4'-P energy: -78.141 bonds (distance) P-C4' energy: -78.934 flat angles C4'-P-C4' energy: -98.018 flat angles P-C4'-P energy: -52.285 tors. eta vs tors. theta energy: -123.824 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: 3 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1341.989886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.989886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.989886 (E_RNA) where: Base-Base interactions energy: -930.550 where: short stacking energy: -393.231 Base-Backbone interact. energy: -2.585 local terms energy: -408.854631 where: bonds (distance) C4'-P energy: -68.533 bonds (distance) P-C4' energy: -77.938 flat angles C4'-P-C4' energy: -87.757 flat angles P-C4'-P energy: -65.949 tors. eta vs tors. theta energy: -108.678 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: 6 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1314.705419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.705419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.705419 (E_RNA) where: Base-Base interactions energy: -890.594 where: short stacking energy: -381.024 Base-Backbone interact. energy: -0.391 local terms energy: -423.720661 where: bonds (distance) C4'-P energy: -73.624 bonds (distance) P-C4' energy: -81.399 flat angles C4'-P-C4' energy: -90.025 flat angles P-C4'-P energy: -55.429 tors. eta vs tors. theta energy: -123.245 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: 2 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1262.432614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.432614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.432614 (E_RNA) where: Base-Base interactions energy: -881.550 where: short stacking energy: -363.684 Base-Backbone interact. energy: -2.007 local terms energy: -378.875204 where: bonds (distance) C4'-P energy: -65.195 bonds (distance) P-C4' energy: -82.082 flat angles C4'-P-C4' energy: -84.006 flat angles P-C4'-P energy: -47.962 tors. eta vs tors. theta energy: -99.630 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: 10 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1136.072723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.072723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.072723 (E_RNA) where: Base-Base interactions energy: -795.815 where: short stacking energy: -349.937 Base-Backbone interact. energy: -0.099 local terms energy: -340.159088 where: bonds (distance) C4'-P energy: -60.131 bonds (distance) P-C4' energy: -79.613 flat angles C4'-P-C4' energy: -66.629 flat angles P-C4'-P energy: -43.327 tors. eta vs tors. theta energy: -90.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1089.230110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.230110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.230110 (E_RNA) where: Base-Base interactions energy: -724.875 where: short stacking energy: -338.897 Base-Backbone interact. energy: -0.546 local terms energy: -363.809025 where: bonds (distance) C4'-P energy: -78.017 bonds (distance) P-C4' energy: -74.559 flat angles C4'-P-C4' energy: -72.702 flat angles P-C4'-P energy: -47.776 tors. eta vs tors. theta energy: -90.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -840.071918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.071918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.071918 (E_RNA) where: Base-Base interactions energy: -554.344 where: short stacking energy: -255.028 Base-Backbone interact. energy: -1.151 local terms energy: -284.576873 where: bonds (distance) C4'-P energy: -67.036 bonds (distance) P-C4' energy: -59.951 flat angles C4'-P-C4' energy: -59.255 flat angles P-C4'-P energy: -41.702 tors. eta vs tors. theta energy: -56.634 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: 8, replica: 5 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -642.284072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.284072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.284072 (E_RNA) where: Base-Base interactions energy: -365.000 where: short stacking energy: -205.525 Base-Backbone interact. energy: -2.254 local terms energy: -275.029604 where: bonds (distance) C4'-P energy: -64.712 bonds (distance) P-C4' energy: -62.556 flat angles C4'-P-C4' energy: -64.830 flat angles P-C4'-P energy: -27.506 tors. eta vs tors. theta energy: -55.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -358.966291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.966291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.966291 (E_RNA) where: Base-Base interactions energy: -143.271 where: short stacking energy: -95.885 Base-Backbone interact. energy: 1.625 local terms energy: -217.320359 where: bonds (distance) C4'-P energy: -64.554 bonds (distance) P-C4' energy: -70.475 flat angles C4'-P-C4' energy: -64.724 flat angles P-C4'-P energy: -22.200 tors. eta vs tors. theta energy: 4.632 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: 10, replica: 8 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -366.072674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.072674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.072674 (E_RNA) where: Base-Base interactions energy: -167.475 where: short stacking energy: -118.119 Base-Backbone interact. energy: -0.543 local terms energy: -198.054241 where: bonds (distance) C4'-P energy: -55.868 bonds (distance) P-C4' energy: -59.035 flat angles C4'-P-C4' energy: -70.335 flat angles P-C4'-P energy: -17.133 tors. eta vs tors. theta energy: 4.315 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: 4 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1370.201190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.201190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.201190 (E_RNA) where: Base-Base interactions energy: -950.021 where: short stacking energy: -417.646 Base-Backbone interact. energy: -0.842 local terms energy: -419.339125 where: bonds (distance) C4'-P energy: -68.604 bonds (distance) P-C4' energy: -79.381 flat angles C4'-P-C4' energy: -89.491 flat angles P-C4'-P energy: -54.442 tors. eta vs tors. theta energy: -127.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1354.418997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.418997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.418997 (E_RNA) where: Base-Base interactions energy: -927.999 where: short stacking energy: -384.217 Base-Backbone interact. energy: -0.637 local terms energy: -425.783267 where: bonds (distance) C4'-P energy: -76.972 bonds (distance) P-C4' energy: -73.731 flat angles C4'-P-C4' energy: -89.226 flat angles P-C4'-P energy: -68.429 tors. eta vs tors. theta energy: -117.425 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: 6 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1285.861099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.861099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.861099 (E_RNA) where: Base-Base interactions energy: -856.962 where: short stacking energy: -389.468 Base-Backbone interact. energy: -1.522 local terms energy: -427.376421 where: bonds (distance) C4'-P energy: -78.853 bonds (distance) P-C4' energy: -85.917 flat angles C4'-P-C4' energy: -80.490 flat angles P-C4'-P energy: -70.981 tors. eta vs tors. theta energy: -111.134 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: 2 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1244.884965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.884965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.884965 (E_RNA) where: Base-Base interactions energy: -850.157 where: short stacking energy: -365.671 Base-Backbone interact. energy: 4.567 local terms energy: -399.295347 where: bonds (distance) C4'-P energy: -71.711 bonds (distance) P-C4' energy: -76.980 flat angles C4'-P-C4' energy: -87.467 flat angles P-C4'-P energy: -52.653 tors. eta vs tors. theta energy: -110.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1106.851979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.851979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.851979 (E_RNA) where: Base-Base interactions energy: -753.067 where: short stacking energy: -309.600 Base-Backbone interact. energy: -1.438 local terms energy: -352.346563 where: bonds (distance) C4'-P energy: -67.568 bonds (distance) P-C4' energy: -70.562 flat angles C4'-P-C4' energy: -83.600 flat angles P-C4'-P energy: -46.359 tors. eta vs tors. theta energy: -84.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1104.122004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.122004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.122004 (E_RNA) where: Base-Base interactions energy: -736.963 where: short stacking energy: -337.023 Base-Backbone interact. energy: -0.504 local terms energy: -366.655145 where: bonds (distance) C4'-P energy: -65.528 bonds (distance) P-C4' energy: -70.247 flat angles C4'-P-C4' energy: -86.108 flat angles P-C4'-P energy: -46.927 tors. eta vs tors. theta energy: -97.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -839.725208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.725208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.725208 (E_RNA) where: Base-Base interactions energy: -531.687 where: short stacking energy: -245.979 Base-Backbone interact. energy: -0.504 local terms energy: -307.533462 where: bonds (distance) C4'-P energy: -73.610 bonds (distance) P-C4' energy: -75.123 flat angles C4'-P-C4' energy: -68.789 flat angles P-C4'-P energy: -40.863 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: 347 Temperature: 1.250000 Total energy: -638.882998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.882998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.882998 (E_RNA) where: Base-Base interactions energy: -373.124 where: short stacking energy: -205.280 Base-Backbone interact. energy: -0.882 local terms energy: -264.876893 where: bonds (distance) C4'-P energy: -71.798 bonds (distance) P-C4' energy: -69.909 flat angles C4'-P-C4' energy: -70.211 flat angles P-C4'-P energy: -21.995 tors. eta vs tors. theta energy: -30.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -334.639561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.639561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.639561 (E_RNA) where: Base-Base interactions energy: -133.043 where: short stacking energy: -112.864 Base-Backbone interact. energy: -1.327 local terms energy: -200.269453 where: bonds (distance) C4'-P energy: -57.841 bonds (distance) P-C4' energy: -73.596 flat angles C4'-P-C4' energy: -40.729 flat angles P-C4'-P energy: -22.200 tors. eta vs tors. theta energy: -5.903 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: 8 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -382.200460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.200460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.200460 (E_RNA) where: Base-Base interactions energy: -180.726 where: short stacking energy: -102.105 Base-Backbone interact. energy: 2.245 local terms energy: -203.718535 where: bonds (distance) C4'-P energy: -65.480 bonds (distance) P-C4' energy: -75.488 flat angles C4'-P-C4' energy: -54.507 flat angles P-C4'-P energy: -25.552 tors. eta vs tors. theta energy: 17.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1396.613267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.613267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.613267 (E_RNA) where: Base-Base interactions energy: -963.685 where: short stacking energy: -436.070 Base-Backbone interact. energy: -2.164 local terms energy: -430.763503 where: bonds (distance) C4'-P energy: -76.816 bonds (distance) P-C4' energy: -80.519 flat angles C4'-P-C4' energy: -96.027 flat angles P-C4'-P energy: -55.936 tors. eta vs tors. theta energy: -121.466 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: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1360.618984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.618984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.618984 (E_RNA) where: Base-Base interactions energy: -928.108 where: short stacking energy: -408.311 Base-Backbone interact. energy: -1.853 local terms energy: -430.658455 where: bonds (distance) C4'-P energy: -71.321 bonds (distance) P-C4' energy: -89.920 flat angles C4'-P-C4' energy: -87.317 flat angles P-C4'-P energy: -63.932 tors. eta vs tors. theta energy: -118.169 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: 348 Temperature: 1.000000 Total energy: -1303.865395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.865395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.865395 (E_RNA) where: Base-Base interactions energy: -909.647 where: short stacking energy: -412.727 Base-Backbone interact. energy: -0.600 local terms energy: -393.618399 where: bonds (distance) C4'-P energy: -71.069 bonds (distance) P-C4' energy: -77.807 flat angles C4'-P-C4' energy: -87.694 flat angles P-C4'-P energy: -46.329 tors. eta vs tors. theta energy: -110.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1234.739242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.739242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.739242 (E_RNA) where: Base-Base interactions energy: -833.978 where: short stacking energy: -364.183 Base-Backbone interact. energy: 0.970 local terms energy: -401.731607 where: bonds (distance) C4'-P energy: -68.134 bonds (distance) P-C4' energy: -80.030 flat angles C4'-P-C4' energy: -80.337 flat angles P-C4'-P energy: -63.178 tors. eta vs tors. theta energy: -110.053 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: 10 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1173.639820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.639820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.639820 (E_RNA) where: Base-Base interactions energy: -807.143 where: short stacking energy: -372.115 Base-Backbone interact. energy: -1.042 local terms energy: -365.454960 where: bonds (distance) C4'-P energy: -57.444 bonds (distance) P-C4' energy: -65.403 flat angles C4'-P-C4' energy: -81.917 flat angles P-C4'-P energy: -54.450 tors. eta vs tors. theta energy: -106.241 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: 6, replica: 7 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1109.101683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.101683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.101683 (E_RNA) where: Base-Base interactions energy: -755.370 where: short stacking energy: -380.457 Base-Backbone interact. energy: -1.767 local terms energy: -351.964661 where: bonds (distance) C4'-P energy: -57.317 bonds (distance) P-C4' energy: -75.635 flat angles C4'-P-C4' energy: -72.984 flat angles P-C4'-P energy: -42.975 tors. eta vs tors. theta energy: -103.053 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: 9 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -863.007281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.007281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.007281 (E_RNA) where: Base-Base interactions energy: -546.605 where: short stacking energy: -223.808 Base-Backbone interact. energy: -0.505 local terms energy: -315.897184 where: bonds (distance) C4'-P energy: -70.187 bonds (distance) P-C4' energy: -80.638 flat angles C4'-P-C4' energy: -69.524 flat angles P-C4'-P energy: -48.510 tors. eta vs tors. theta energy: -47.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -698.336783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.336783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.336783 (E_RNA) where: Base-Base interactions energy: -425.890 where: short stacking energy: -200.806 Base-Backbone interact. energy: -1.978 local terms energy: -270.468934 where: bonds (distance) C4'-P energy: -57.620 bonds (distance) P-C4' energy: -71.382 flat angles C4'-P-C4' energy: -74.573 flat angles P-C4'-P energy: -35.245 tors. eta vs tors. theta energy: -31.648 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: 8 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -411.412329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.412329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.412329 (E_RNA) where: Base-Base interactions energy: -193.862 where: short stacking energy: -127.696 Base-Backbone interact. energy: -0.457 local terms energy: -217.093107 where: bonds (distance) C4'-P energy: -57.850 bonds (distance) P-C4' energy: -67.346 flat angles C4'-P-C4' energy: -62.275 flat angles P-C4'-P energy: -39.858 tors. eta vs tors. theta energy: 10.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -320.999276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.999276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.999276 (E_RNA) where: Base-Base interactions energy: -110.236 where: short stacking energy: -84.548 Base-Backbone interact. energy: 11.572 local terms energy: -222.335367 where: bonds (distance) C4'-P energy: -62.078 bonds (distance) P-C4' energy: -76.518 flat angles C4'-P-C4' energy: -62.234 flat angles P-C4'-P energy: -37.119 tors. eta vs tors. theta energy: 15.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1392.201165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.201165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.201165 (E_RNA) where: Base-Base interactions energy: -964.310 where: short stacking energy: -404.573 Base-Backbone interact. energy: -0.623 local terms energy: -427.268244 where: bonds (distance) C4'-P energy: -70.612 bonds (distance) P-C4' energy: -87.969 flat angles C4'-P-C4' energy: -91.061 flat angles P-C4'-P energy: -59.346 tors. eta vs tors. theta energy: -118.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1364.592834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.592834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.592834 (E_RNA) where: Base-Base interactions energy: -948.759 where: short stacking energy: -404.153 Base-Backbone interact. energy: -1.953 local terms energy: -413.880486 where: bonds (distance) C4'-P energy: -72.866 bonds (distance) P-C4' energy: -74.034 flat angles C4'-P-C4' energy: -87.895 flat angles P-C4'-P energy: -62.245 tors. eta vs tors. theta energy: -116.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1304.891667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.891667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.891667 (E_RNA) where: Base-Base interactions energy: -907.991 where: short stacking energy: -389.188 Base-Backbone interact. energy: 0.988 local terms energy: -397.888464 where: bonds (distance) C4'-P energy: -75.329 bonds (distance) P-C4' energy: -72.963 flat angles C4'-P-C4' energy: -81.702 flat angles P-C4'-P energy: -53.083 tors. eta vs tors. theta energy: -114.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1275.994557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.994557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.994557 (E_RNA) where: Base-Base interactions energy: -875.845 where: short stacking energy: -379.154 Base-Backbone interact. energy: 2.406 local terms energy: -402.556115 where: bonds (distance) C4'-P energy: -74.211 bonds (distance) P-C4' energy: -78.349 flat angles C4'-P-C4' energy: -84.950 flat angles P-C4'-P energy: -51.527 tors. eta vs tors. theta energy: -113.520 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: 10 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1189.193407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.193407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.193407 (E_RNA) where: Base-Base interactions energy: -791.423 where: short stacking energy: -361.508 Base-Backbone interact. energy: -0.524 local terms energy: -397.246623 where: bonds (distance) C4'-P energy: -66.833 bonds (distance) P-C4' energy: -79.821 flat angles C4'-P-C4' energy: -85.112 flat angles P-C4'-P energy: -58.761 tors. eta vs tors. theta energy: -106.719 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: 7 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1096.511328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.511328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.511328 (E_RNA) where: Base-Base interactions energy: -726.805 where: short stacking energy: -332.617 Base-Backbone interact. energy: -0.471 local terms energy: -369.235257 where: bonds (distance) C4'-P energy: -76.158 bonds (distance) P-C4' energy: -76.494 flat angles C4'-P-C4' energy: -71.557 flat angles P-C4'-P energy: -54.107 tors. eta vs tors. theta energy: -90.920 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: 9 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -851.022106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.022106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.022106 (E_RNA) where: Base-Base interactions energy: -531.428 where: short stacking energy: -245.053 Base-Backbone interact. energy: 1.358 local terms energy: -320.951674 where: bonds (distance) C4'-P energy: -65.668 bonds (distance) P-C4' energy: -66.711 flat angles C4'-P-C4' energy: -82.026 flat angles P-C4'-P energy: -43.793 tors. eta vs tors. theta energy: -62.755 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: 8, replica: 5 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -630.582085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.582085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.582085 (E_RNA) where: Base-Base interactions energy: -340.179 where: short stacking energy: -163.817 Base-Backbone interact. energy: -0.315 local terms energy: -290.087790 where: bonds (distance) C4'-P energy: -78.991 bonds (distance) P-C4' energy: -74.968 flat angles C4'-P-C4' energy: -70.060 flat angles P-C4'-P energy: -37.042 tors. eta vs tors. theta energy: -29.026 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: 9, replica: 8 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -458.681662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.681662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.681662 (E_RNA) where: Base-Base interactions energy: -226.862 where: short stacking energy: -134.229 Base-Backbone interact. energy: -0.515 local terms energy: -231.305071 where: bonds (distance) C4'-P energy: -57.254 bonds (distance) P-C4' energy: -66.187 flat angles C4'-P-C4' energy: -59.601 flat angles P-C4'-P energy: -32.537 tors. eta vs tors. theta energy: -15.726 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: 1 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -299.916381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.916381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.916381 (E_RNA) where: Base-Base interactions energy: -95.388 where: short stacking energy: -83.534 Base-Backbone interact. energy: -0.922 local terms energy: -203.605879 where: bonds (distance) C4'-P energy: -58.707 bonds (distance) P-C4' energy: -72.696 flat angles C4'-P-C4' energy: -53.962 flat angles P-C4'-P energy: -27.562 tors. eta vs tors. theta energy: 9.320 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: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1378.336918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.336918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.336918 (E_RNA) where: Base-Base interactions energy: -954.830 where: short stacking energy: -398.438 Base-Backbone interact. energy: -2.269 local terms energy: -421.237915 where: bonds (distance) C4'-P energy: -71.925 bonds (distance) P-C4' energy: -82.477 flat angles C4'-P-C4' energy: -93.251 flat angles P-C4'-P energy: -54.581 tors. eta vs tors. theta energy: -119.003 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: 4 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1363.510336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.510336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.510336 (E_RNA) where: Base-Base interactions energy: -920.909 where: short stacking energy: -391.508 Base-Backbone interact. energy: -0.891 local terms energy: -441.710026 where: bonds (distance) C4'-P energy: -89.236 bonds (distance) P-C4' energy: -76.111 flat angles C4'-P-C4' energy: -87.041 flat angles P-C4'-P energy: -70.670 tors. eta vs tors. theta energy: -118.652 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: 2 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1301.211098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.211098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.211098 (E_RNA) where: Base-Base interactions energy: -910.220 where: short stacking energy: -376.635 Base-Backbone interact. energy: 1.029 local terms energy: -392.020436 where: bonds (distance) C4'-P energy: -63.399 bonds (distance) P-C4' energy: -67.339 flat angles C4'-P-C4' energy: -94.191 flat angles P-C4'-P energy: -51.398 tors. eta vs tors. theta energy: -115.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1281.106401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.106401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.106401 (E_RNA) where: Base-Base interactions energy: -886.390 where: short stacking energy: -396.091 Base-Backbone interact. energy: -0.376 local terms energy: -394.340352 where: bonds (distance) C4'-P energy: -75.647 bonds (distance) P-C4' energy: -63.547 flat angles C4'-P-C4' energy: -82.909 flat angles P-C4'-P energy: -55.664 tors. eta vs tors. theta energy: -116.575 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: 10 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1184.513401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.513401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.513401 (E_RNA) where: Base-Base interactions energy: -783.317 where: short stacking energy: -345.177 Base-Backbone interact. energy: -0.869 local terms energy: -400.327327 where: bonds (distance) C4'-P energy: -76.130 bonds (distance) P-C4' energy: -70.657 flat angles C4'-P-C4' energy: -80.449 flat angles P-C4'-P energy: -64.308 tors. eta vs tors. theta energy: -108.783 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: 7 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1105.585917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.585917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.585917 (E_RNA) where: Base-Base interactions energy: -722.337 where: short stacking energy: -346.462 Base-Backbone interact. energy: -1.058 local terms energy: -382.190898 where: bonds (distance) C4'-P energy: -73.247 bonds (distance) P-C4' energy: -68.365 flat angles C4'-P-C4' energy: -88.203 flat angles P-C4'-P energy: -52.458 tors. eta vs tors. theta energy: -99.917 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: 7, replica: 9 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -857.542469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.542469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.542469 (E_RNA) where: Base-Base interactions energy: -548.341 where: short stacking energy: -253.077 Base-Backbone interact. energy: -1.132 local terms energy: -308.069909 where: bonds (distance) C4'-P energy: -65.689 bonds (distance) P-C4' energy: -67.676 flat angles C4'-P-C4' energy: -76.432 flat angles P-C4'-P energy: -41.282 tors. eta vs tors. theta energy: -56.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -702.770068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.770068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.770068 (E_RNA) where: Base-Base interactions energy: -412.865 where: short stacking energy: -212.621 Base-Backbone interact. energy: -2.264 local terms energy: -287.640760 where: bonds (distance) C4'-P energy: -60.615 bonds (distance) P-C4' energy: -66.829 flat angles C4'-P-C4' energy: -66.104 flat angles P-C4'-P energy: -52.419 tors. eta vs tors. theta energy: -41.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -392.667239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.667239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.667239 (E_RNA) where: Base-Base interactions energy: -171.423 where: short stacking energy: -100.144 Base-Backbone interact. energy: -1.571 local terms energy: -219.674062 where: bonds (distance) C4'-P energy: -55.322 bonds (distance) P-C4' energy: -72.643 flat angles C4'-P-C4' energy: -56.059 flat angles P-C4'-P energy: -33.994 tors. eta vs tors. theta energy: -1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -327.348297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.348297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.348297 (E_RNA) where: Base-Base interactions energy: -94.493 where: short stacking energy: -78.553 Base-Backbone interact. energy: 4.027 local terms energy: -236.882459 where: bonds (distance) C4'-P energy: -58.352 bonds (distance) P-C4' energy: -76.777 flat angles C4'-P-C4' energy: -63.106 flat angles P-C4'-P energy: -49.305 tors. eta vs tors. theta energy: 10.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1389.195652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.195652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.195652 (E_RNA) where: Base-Base interactions energy: -955.607 where: short stacking energy: -405.963 Base-Backbone interact. energy: -2.658 local terms energy: -430.930159 where: bonds (distance) C4'-P energy: -78.562 bonds (distance) P-C4' energy: -77.630 flat angles C4'-P-C4' energy: -90.813 flat angles P-C4'-P energy: -63.551 tors. eta vs tors. theta energy: -120.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1368.299305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.299305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.299305 (E_RNA) where: Base-Base interactions energy: -921.415 where: short stacking energy: -394.603 Base-Backbone interact. energy: -0.915 local terms energy: -445.968916 where: bonds (distance) C4'-P energy: -81.317 bonds (distance) P-C4' energy: -86.940 flat angles C4'-P-C4' energy: -89.773 flat angles P-C4'-P energy: -61.991 tors. eta vs tors. theta energy: -125.948 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: 2 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1299.530691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.530691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.530691 (E_RNA) where: Base-Base interactions energy: -894.601 where: short stacking energy: -368.677 Base-Backbone interact. energy: 2.281 local terms energy: -407.210477 where: bonds (distance) C4'-P energy: -72.552 bonds (distance) P-C4' energy: -64.970 flat angles C4'-P-C4' energy: -91.780 flat angles P-C4'-P energy: -60.778 tors. eta vs tors. theta energy: -117.131 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: 6 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1283.592888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.592888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.592888 (E_RNA) where: Base-Base interactions energy: -874.374 where: short stacking energy: -386.448 Base-Backbone interact. energy: -0.056 local terms energy: -409.162589 where: bonds (distance) C4'-P energy: -63.203 bonds (distance) P-C4' energy: -81.869 flat angles C4'-P-C4' energy: -90.970 flat angles P-C4'-P energy: -62.168 tors. eta vs tors. theta energy: -110.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1182.773692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.773692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.773692 (E_RNA) where: Base-Base interactions energy: -808.911 where: short stacking energy: -342.934 Base-Backbone interact. energy: 0.149 local terms energy: -374.012001 where: bonds (distance) C4'-P energy: -80.271 bonds (distance) P-C4' energy: -77.072 flat angles C4'-P-C4' energy: -81.578 flat angles P-C4'-P energy: -40.332 tors. eta vs tors. theta energy: -94.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1133.504208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.504208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.504208 (E_RNA) where: Base-Base interactions energy: -755.214 where: short stacking energy: -360.512 Base-Backbone interact. energy: 0.139 local terms energy: -378.429137 where: bonds (distance) C4'-P energy: -71.831 bonds (distance) P-C4' energy: -66.044 flat angles C4'-P-C4' energy: -85.513 flat angles P-C4'-P energy: -54.492 tors. eta vs tors. theta energy: -100.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -842.856900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.856900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.856900 (E_RNA) where: Base-Base interactions energy: -538.705 where: short stacking energy: -242.485 Base-Backbone interact. energy: -0.613 local terms energy: -303.539344 where: bonds (distance) C4'-P energy: -52.283 bonds (distance) P-C4' energy: -64.617 flat angles C4'-P-C4' energy: -75.555 flat angles P-C4'-P energy: -56.712 tors. eta vs tors. theta energy: -54.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -672.318793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.318793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.318793 (E_RNA) where: Base-Base interactions energy: -407.928 where: short stacking energy: -190.676 Base-Backbone interact. energy: 1.439 local terms energy: -265.829979 where: bonds (distance) C4'-P energy: -66.925 bonds (distance) P-C4' energy: -69.637 flat angles C4'-P-C4' energy: -58.492 flat angles P-C4'-P energy: -37.178 tors. eta vs tors. theta energy: -33.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -325.173961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.173961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.173961 (E_RNA) where: Base-Base interactions energy: -109.804 where: short stacking energy: -84.448 Base-Backbone interact. energy: 4.040 local terms energy: -219.409353 where: bonds (distance) C4'-P energy: -72.102 bonds (distance) P-C4' energy: -73.136 flat angles C4'-P-C4' energy: -49.357 flat angles P-C4'-P energy: -37.556 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: 10, replica: 1 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -352.522159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.522159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.522159 (E_RNA) where: Base-Base interactions energy: -138.657 where: short stacking energy: -101.335 Base-Backbone interact. energy: 0.259 local terms energy: -214.123933 where: bonds (distance) C4'-P energy: -64.931 bonds (distance) P-C4' energy: -66.491 flat angles C4'-P-C4' energy: -54.504 flat angles P-C4'-P energy: -25.793 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1393.208840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.208840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.208840 (E_RNA) where: Base-Base interactions energy: -962.671 where: short stacking energy: -409.124 Base-Backbone interact. energy: -1.916 local terms energy: -428.621617 where: bonds (distance) C4'-P energy: -76.279 bonds (distance) P-C4' energy: -82.427 flat angles C4'-P-C4' energy: -86.593 flat angles P-C4'-P energy: -66.787 tors. eta vs tors. theta energy: -116.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1346.482687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.482687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.482687 (E_RNA) where: Base-Base interactions energy: -920.701 where: short stacking energy: -406.145 Base-Backbone interact. energy: -0.532 local terms energy: -425.249522 where: bonds (distance) C4'-P energy: -78.353 bonds (distance) P-C4' energy: -79.248 flat angles C4'-P-C4' energy: -86.293 flat angles P-C4'-P energy: -59.972 tors. eta vs tors. theta energy: -121.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1337.328580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.328580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.328580 (E_RNA) where: Base-Base interactions energy: -929.771 where: short stacking energy: -401.454 Base-Backbone interact. energy: -0.383 local terms energy: -407.174414 where: bonds (distance) C4'-P energy: -64.869 bonds (distance) P-C4' energy: -81.082 flat angles C4'-P-C4' energy: -82.079 flat angles P-C4'-P energy: -66.371 tors. eta vs tors. theta energy: -112.773 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: 2 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1279.867525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.867525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.867525 (E_RNA) where: Base-Base interactions energy: -896.479 where: short stacking energy: -379.819 Base-Backbone interact. energy: 1.248 local terms energy: -384.636586 where: bonds (distance) C4'-P energy: -66.571 bonds (distance) P-C4' energy: -65.039 flat angles C4'-P-C4' energy: -86.008 flat angles P-C4'-P energy: -52.859 tors. eta vs tors. theta energy: -114.160 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: 10 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1171.558221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.558221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.558221 (E_RNA) where: Base-Base interactions energy: -817.458 where: short stacking energy: -346.151 Base-Backbone interact. energy: -3.300 local terms energy: -350.799644 where: bonds (distance) C4'-P energy: -65.730 bonds (distance) P-C4' energy: -71.273 flat angles C4'-P-C4' energy: -68.616 flat angles P-C4'-P energy: -51.444 tors. eta vs tors. theta energy: -93.737 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: 7 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1064.128916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.128916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.128916 (E_RNA) where: Base-Base interactions energy: -710.125 where: short stacking energy: -313.028 Base-Backbone interact. energy: 2.015 local terms energy: -356.018684 where: bonds (distance) C4'-P energy: -65.192 bonds (distance) P-C4' energy: -85.317 flat angles C4'-P-C4' energy: -65.881 flat angles P-C4'-P energy: -45.979 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: 7, replica: 9 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -840.908408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.908408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.908408 (E_RNA) where: Base-Base interactions energy: -542.262 where: short stacking energy: -238.112 Base-Backbone interact. energy: 2.112 local terms energy: -300.758859 where: bonds (distance) C4'-P energy: -71.255 bonds (distance) P-C4' energy: -69.587 flat angles C4'-P-C4' energy: -66.503 flat angles P-C4'-P energy: -46.793 tors. eta vs tors. theta energy: -46.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -678.561956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.561956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.561956 (E_RNA) where: Base-Base interactions energy: -416.480 where: short stacking energy: -191.945 Base-Backbone interact. energy: -0.673 local terms energy: -261.408255 where: bonds (distance) C4'-P energy: -65.335 bonds (distance) P-C4' energy: -58.621 flat angles C4'-P-C4' energy: -68.984 flat angles P-C4'-P energy: -37.625 tors. eta vs tors. theta energy: -30.843 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: 352 Temperature: 1.300000 Total energy: -363.366426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.366426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.366426 (E_RNA) where: Base-Base interactions energy: -140.059 where: short stacking energy: -123.454 Base-Backbone interact. energy: -1.649 local terms energy: -221.658177 where: bonds (distance) C4'-P energy: -32.854 bonds (distance) P-C4' energy: -63.875 flat angles C4'-P-C4' energy: -61.725 flat angles P-C4'-P energy: -44.766 tors. eta vs tors. theta energy: -18.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -321.732960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.732960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.732960 (E_RNA) where: Base-Base interactions energy: -127.815 where: short stacking energy: -84.968 Base-Backbone interact. energy: -0.472 local terms energy: -193.446411 where: bonds (distance) C4'-P energy: -56.178 bonds (distance) P-C4' energy: -57.235 flat angles C4'-P-C4' energy: -54.597 flat angles P-C4'-P energy: -38.664 tors. eta vs tors. theta energy: 13.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1380.748756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.748756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.748756 (E_RNA) where: Base-Base interactions energy: -942.970 where: short stacking energy: -407.839 Base-Backbone interact. energy: -4.092 local terms energy: -433.686214 where: bonds (distance) C4'-P energy: -76.601 bonds (distance) P-C4' energy: -84.797 flat angles C4'-P-C4' energy: -89.774 flat angles P-C4'-P energy: -67.410 tors. eta vs tors. theta energy: -115.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1356.990671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.990671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.990671 (E_RNA) where: Base-Base interactions energy: -941.977 where: short stacking energy: -421.556 Base-Backbone interact. energy: -0.877 local terms energy: -414.137186 where: bonds (distance) C4'-P energy: -74.309 bonds (distance) P-C4' energy: -74.461 flat angles C4'-P-C4' energy: -88.854 flat angles P-C4'-P energy: -55.864 tors. eta vs tors. theta energy: -120.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1344.877633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.877633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.877633 (E_RNA) where: Base-Base interactions energy: -932.270 where: short stacking energy: -413.924 Base-Backbone interact. energy: -0.264 local terms energy: -412.343694 where: bonds (distance) C4'-P energy: -78.862 bonds (distance) P-C4' energy: -66.074 flat angles C4'-P-C4' energy: -87.270 flat angles P-C4'-P energy: -54.886 tors. eta vs tors. theta energy: -125.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1281.675367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.675367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.675367 (E_RNA) where: Base-Base interactions energy: -884.406 where: short stacking energy: -369.944 Base-Backbone interact. energy: -0.461 local terms energy: -396.808519 where: bonds (distance) C4'-P energy: -65.358 bonds (distance) P-C4' energy: -76.780 flat angles C4'-P-C4' energy: -89.344 flat angles P-C4'-P energy: -53.997 tors. eta vs tors. theta energy: -111.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1169.810539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.810539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.810539 (E_RNA) where: Base-Base interactions energy: -811.609 where: short stacking energy: -346.363 Base-Backbone interact. energy: 0.733 local terms energy: -358.933998 where: bonds (distance) C4'-P energy: -53.960 bonds (distance) P-C4' energy: -64.902 flat angles C4'-P-C4' energy: -82.470 flat angles P-C4'-P energy: -51.139 tors. eta vs tors. theta energy: -106.463 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: 353 Temperature: 1.150000 Total energy: -1095.159478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.159478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.159478 (E_RNA) where: Base-Base interactions energy: -723.956 where: short stacking energy: -335.070 Base-Backbone interact. energy: 0.252 local terms energy: -371.455274 where: bonds (distance) C4'-P energy: -79.426 bonds (distance) P-C4' energy: -68.398 flat angles C4'-P-C4' energy: -77.492 flat angles P-C4'-P energy: -52.406 tors. eta vs tors. theta energy: -93.733 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: 9 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -915.061671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.061671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.061671 (E_RNA) where: Base-Base interactions energy: -606.242 where: short stacking energy: -284.400 Base-Backbone interact. energy: -1.124 local terms energy: -307.694944 where: bonds (distance) C4'-P energy: -55.310 bonds (distance) P-C4' energy: -74.638 flat angles C4'-P-C4' energy: -63.490 flat angles P-C4'-P energy: -36.838 tors. eta vs tors. theta energy: -77.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -674.492610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.492610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.492610 (E_RNA) where: Base-Base interactions energy: -396.022 where: short stacking energy: -202.749 Base-Backbone interact. energy: -1.175 local terms energy: -277.295472 where: bonds (distance) C4'-P energy: -62.630 bonds (distance) P-C4' energy: -70.969 flat angles C4'-P-C4' energy: -58.015 flat angles P-C4'-P energy: -47.949 tors. eta vs tors. theta energy: -37.732 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: 1 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -344.466380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.466380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.466380 (E_RNA) where: Base-Base interactions energy: -113.839 where: short stacking energy: -102.787 Base-Backbone interact. energy: -1.109 local terms energy: -229.519302 where: bonds (distance) C4'-P energy: -65.743 bonds (distance) P-C4' energy: -71.535 flat angles C4'-P-C4' energy: -51.354 flat angles P-C4'-P energy: -32.629 tors. eta vs tors. theta energy: -8.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -346.159683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.159683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.159683 (E_RNA) where: Base-Base interactions energy: -125.238 where: short stacking energy: -110.839 Base-Backbone interact. energy: -1.720 local terms energy: -219.201877 where: bonds (distance) C4'-P energy: -64.087 bonds (distance) P-C4' energy: -66.077 flat angles C4'-P-C4' energy: -54.758 flat angles P-C4'-P energy: -30.125 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1377.585275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.585275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.585275 (E_RNA) where: Base-Base interactions energy: -960.501 where: short stacking energy: -418.700 Base-Backbone interact. energy: 0.086 local terms energy: -417.170620 where: bonds (distance) C4'-P energy: -83.068 bonds (distance) P-C4' energy: -82.672 flat angles C4'-P-C4' energy: -85.191 flat angles P-C4'-P energy: -58.585 tors. eta vs tors. theta energy: -107.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1356.945201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.945201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.945201 (E_RNA) where: Base-Base interactions energy: -936.799 where: short stacking energy: -397.631 Base-Backbone interact. energy: -1.420 local terms energy: -418.725860 where: bonds (distance) C4'-P energy: -68.369 bonds (distance) P-C4' energy: -80.541 flat angles C4'-P-C4' energy: -89.330 flat angles P-C4'-P energy: -58.955 tors. eta vs tors. theta energy: -121.531 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: 3, replica: 4 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1334.822302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.822302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.822302 (E_RNA) where: Base-Base interactions energy: -909.636 where: short stacking energy: -393.162 Base-Backbone interact. energy: -3.005 local terms energy: -422.181175 where: bonds (distance) C4'-P energy: -81.028 bonds (distance) P-C4' energy: -60.361 flat angles C4'-P-C4' energy: -93.581 flat angles P-C4'-P energy: -61.366 tors. eta vs tors. theta energy: -125.845 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: 354 Temperature: 1.050000 Total energy: -1249.997389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.997389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.997389 (E_RNA) where: Base-Base interactions energy: -853.880 where: short stacking energy: -370.303 Base-Backbone interact. energy: -1.447 local terms energy: -394.670275 where: bonds (distance) C4'-P energy: -66.558 bonds (distance) P-C4' energy: -76.596 flat angles C4'-P-C4' energy: -84.369 flat angles P-C4'-P energy: -49.991 tors. eta vs tors. theta energy: -117.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1179.837186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.837186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.837186 (E_RNA) where: Base-Base interactions energy: -800.282 where: short stacking energy: -352.607 Base-Backbone interact. energy: -2.033 local terms energy: -377.522721 where: bonds (distance) C4'-P energy: -66.961 bonds (distance) P-C4' energy: -79.172 flat angles C4'-P-C4' energy: -79.896 flat angles P-C4'-P energy: -49.981 tors. eta vs tors. theta energy: -101.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1118.342398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.342398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.342398 (E_RNA) where: Base-Base interactions energy: -739.057 where: short stacking energy: -329.708 Base-Backbone interact. energy: -0.313 local terms energy: -378.972501 where: bonds (distance) C4'-P energy: -79.012 bonds (distance) P-C4' energy: -62.021 flat angles C4'-P-C4' energy: -81.112 flat angles P-C4'-P energy: -51.832 tors. eta vs tors. theta energy: -104.996 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: 9 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -956.461884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.461884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.461884 (E_RNA) where: Base-Base interactions energy: -614.733 where: short stacking energy: -302.163 Base-Backbone interact. energy: -0.458 local terms energy: -341.270848 where: bonds (distance) C4'-P energy: -78.364 bonds (distance) P-C4' energy: -72.450 flat angles C4'-P-C4' energy: -78.859 flat angles P-C4'-P energy: -38.953 tors. eta vs tors. theta energy: -72.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -675.337030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.337030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.337030 (E_RNA) where: Base-Base interactions energy: -420.489 where: short stacking energy: -214.736 Base-Backbone interact. energy: 1.633 local terms energy: -256.480668 where: bonds (distance) C4'-P energy: -72.000 bonds (distance) P-C4' energy: -58.457 flat angles C4'-P-C4' energy: -46.866 flat angles P-C4'-P energy: -47.475 tors. eta vs tors. theta energy: -31.683 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: 8 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -380.801925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.801925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.801925 (E_RNA) where: Base-Base interactions energy: -142.195 where: short stacking energy: -110.232 Base-Backbone interact. energy: -0.820 local terms energy: -237.786835 where: bonds (distance) C4'-P energy: -70.252 bonds (distance) P-C4' energy: -75.109 flat angles C4'-P-C4' energy: -70.969 flat angles P-C4'-P energy: -32.430 tors. eta vs tors. theta energy: 10.973 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: 1 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -324.829463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.829463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.829463 (E_RNA) where: Base-Base interactions energy: -99.207 where: short stacking energy: -89.136 Base-Backbone interact. energy: 0.751 local terms energy: -226.373330 where: bonds (distance) C4'-P energy: -69.791 bonds (distance) P-C4' energy: -68.462 flat angles C4'-P-C4' energy: -62.248 flat angles P-C4'-P energy: -33.396 tors. eta vs tors. theta energy: 7.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1392.620376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.620376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.620376 (E_RNA) where: Base-Base interactions energy: -955.972 where: short stacking energy: -396.379 Base-Backbone interact. energy: -1.156 local terms energy: -435.492185 where: bonds (distance) C4'-P energy: -83.058 bonds (distance) P-C4' energy: -87.434 flat angles C4'-P-C4' energy: -89.872 flat angles P-C4'-P energy: -62.779 tors. eta vs tors. theta energy: -112.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1332.437339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.437339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.437339 (E_RNA) where: Base-Base interactions energy: -920.824 where: short stacking energy: -398.694 Base-Backbone interact. energy: -1.392 local terms energy: -410.220656 where: bonds (distance) C4'-P energy: -80.427 bonds (distance) P-C4' energy: -70.572 flat angles C4'-P-C4' energy: -87.539 flat angles P-C4'-P energy: -50.007 tors. eta vs tors. theta energy: -121.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1323.431853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.431853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.431853 (E_RNA) where: Base-Base interactions energy: -926.551 where: short stacking energy: -402.624 Base-Backbone interact. energy: -1.602 local terms energy: -395.278389 where: bonds (distance) C4'-P energy: -70.660 bonds (distance) P-C4' energy: -70.607 flat angles C4'-P-C4' energy: -89.775 flat angles P-C4'-P energy: -46.479 tors. eta vs tors. theta energy: -117.757 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: 2 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1233.124540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.124540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.124540 (E_RNA) where: Base-Base interactions energy: -863.207 where: short stacking energy: -356.744 Base-Backbone interact. energy: -1.189 local terms energy: -368.729268 where: bonds (distance) C4'-P energy: -67.405 bonds (distance) P-C4' energy: -67.764 flat angles C4'-P-C4' energy: -74.276 flat angles P-C4'-P energy: -52.462 tors. eta vs tors. theta energy: -106.822 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: 10 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1186.280401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.280401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.280401 (E_RNA) where: Base-Base interactions energy: -820.047 where: short stacking energy: -370.545 Base-Backbone interact. energy: -1.537 local terms energy: -364.696349 where: bonds (distance) C4'-P energy: -69.867 bonds (distance) P-C4' energy: -60.278 flat angles C4'-P-C4' energy: -88.400 flat angles P-C4'-P energy: -47.259 tors. eta vs tors. theta energy: -98.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1052.174922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.174922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.174922 (E_RNA) where: Base-Base interactions energy: -711.025 where: short stacking energy: -313.363 Base-Backbone interact. energy: -0.346 local terms energy: -340.803998 where: bonds (distance) C4'-P energy: -60.847 bonds (distance) P-C4' energy: -64.804 flat angles C4'-P-C4' energy: -83.656 flat angles P-C4'-P energy: -48.170 tors. eta vs tors. theta energy: -83.327 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: 355 Temperature: 1.200000 Total energy: -912.193313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.193313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.193313 (E_RNA) where: Base-Base interactions energy: -581.027 where: short stacking energy: -278.534 Base-Backbone interact. energy: -0.638 local terms energy: -330.528455 where: bonds (distance) C4'-P energy: -64.711 bonds (distance) P-C4' energy: -69.515 flat angles C4'-P-C4' energy: -87.648 flat angles P-C4'-P energy: -37.950 tors. eta vs tors. theta energy: -70.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -713.633641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.633641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.633641 (E_RNA) where: Base-Base interactions energy: -453.943 where: short stacking energy: -197.829 Base-Backbone interact. energy: 2.067 local terms energy: -261.757940 where: bonds (distance) C4'-P energy: -72.129 bonds (distance) P-C4' energy: -58.190 flat angles C4'-P-C4' energy: -69.966 flat angles P-C4'-P energy: -35.852 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: 8 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -375.842614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.842614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.842614 (E_RNA) where: Base-Base interactions energy: -131.415 where: short stacking energy: -117.378 Base-Backbone interact. energy: -1.649 local terms energy: -242.779477 where: bonds (distance) C4'-P energy: -65.361 bonds (distance) P-C4' energy: -69.213 flat angles C4'-P-C4' energy: -58.615 flat angles P-C4'-P energy: -41.952 tors. eta vs tors. theta energy: -7.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -315.603094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.603094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.603094 (E_RNA) where: Base-Base interactions energy: -135.381 where: short stacking energy: -90.729 Base-Backbone interact. energy: 0.912 local terms energy: -181.134189 where: bonds (distance) C4'-P energy: -58.855 bonds (distance) P-C4' energy: -63.201 flat angles C4'-P-C4' energy: -53.186 flat angles P-C4'-P energy: -29.590 tors. eta vs tors. theta energy: 23.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1395.667825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.667825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.667825 (E_RNA) where: Base-Base interactions energy: -946.043 where: short stacking energy: -424.544 Base-Backbone interact. energy: -2.131 local terms energy: -447.493828 where: bonds (distance) C4'-P energy: -83.193 bonds (distance) P-C4' energy: -84.921 flat angles C4'-P-C4' energy: -87.811 flat angles P-C4'-P energy: -63.140 tors. eta vs tors. theta energy: -128.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1351.546909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.546909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.546909 (E_RNA) where: Base-Base interactions energy: -916.936 where: short stacking energy: -403.537 Base-Backbone interact. energy: -1.124 local terms energy: -433.487360 where: bonds (distance) C4'-P energy: -79.443 bonds (distance) P-C4' energy: -87.328 flat angles C4'-P-C4' energy: -89.520 flat angles P-C4'-P energy: -62.272 tors. eta vs tors. theta energy: -114.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1326.379051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.379051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.379051 (E_RNA) where: Base-Base interactions energy: -916.851 where: short stacking energy: -394.309 Base-Backbone interact. energy: 0.735 local terms energy: -410.262555 where: bonds (distance) C4'-P energy: -73.609 bonds (distance) P-C4' energy: -76.161 flat angles C4'-P-C4' energy: -85.308 flat angles P-C4'-P energy: -55.617 tors. eta vs tors. theta energy: -119.567 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: 356 Temperature: 1.050000 Total energy: -1281.276587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.276587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.276587 (E_RNA) where: Base-Base interactions energy: -869.056 where: short stacking energy: -372.680 Base-Backbone interact. energy: -2.498 local terms energy: -409.722600 where: bonds (distance) C4'-P energy: -76.473 bonds (distance) P-C4' energy: -77.282 flat angles C4'-P-C4' energy: -81.930 flat angles P-C4'-P energy: -58.417 tors. eta vs tors. theta energy: -115.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1181.354755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.354755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.354755 (E_RNA) where: Base-Base interactions energy: -802.464 where: short stacking energy: -347.983 Base-Backbone interact. energy: -0.809 local terms energy: -378.081782 where: bonds (distance) C4'-P energy: -79.667 bonds (distance) P-C4' energy: -71.103 flat angles C4'-P-C4' energy: -87.776 flat angles P-C4'-P energy: -40.562 tors. eta vs tors. theta energy: -98.974 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: 356 Temperature: 1.150000 Total energy: -1092.504935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.504935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.504935 (E_RNA) where: Base-Base interactions energy: -735.680 where: short stacking energy: -329.506 Base-Backbone interact. energy: -1.690 local terms energy: -355.135166 where: bonds (distance) C4'-P energy: -70.160 bonds (distance) P-C4' energy: -63.372 flat angles C4'-P-C4' energy: -74.831 flat angles P-C4'-P energy: -50.383 tors. eta vs tors. theta energy: -96.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -961.951126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.951126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.951126 (E_RNA) where: Base-Base interactions energy: -651.708 where: short stacking energy: -279.959 Base-Backbone interact. energy: -3.232 local terms energy: -307.010693 where: bonds (distance) C4'-P energy: -57.835 bonds (distance) P-C4' energy: -59.772 flat angles C4'-P-C4' energy: -72.817 flat angles P-C4'-P energy: -48.829 tors. eta vs tors. theta energy: -67.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -705.779109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.779109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.779109 (E_RNA) where: Base-Base interactions energy: -458.139 where: short stacking energy: -215.029 Base-Backbone interact. energy: -1.507 local terms energy: -246.133868 where: bonds (distance) C4'-P energy: -43.207 bonds (distance) P-C4' energy: -62.086 flat angles C4'-P-C4' energy: -66.635 flat angles P-C4'-P energy: -37.888 tors. eta vs tors. theta energy: -36.318 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: 9, replica: 1 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -343.014687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.014687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.014687 (E_RNA) where: Base-Base interactions energy: -122.827 where: short stacking energy: -100.595 Base-Backbone interact. energy: -0.458 local terms energy: -219.729908 where: bonds (distance) C4'-P energy: -78.149 bonds (distance) P-C4' energy: -80.852 flat angles C4'-P-C4' energy: -43.156 flat angles P-C4'-P energy: -26.644 tors. eta vs tors. theta energy: 9.071 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: 8 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -364.378508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.378508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.378508 (E_RNA) where: Base-Base interactions energy: -161.607 where: short stacking energy: -112.838 Base-Backbone interact. energy: 1.868 local terms energy: -204.639990 where: bonds (distance) C4'-P energy: -55.487 bonds (distance) P-C4' energy: -66.514 flat angles C4'-P-C4' energy: -48.866 flat angles P-C4'-P energy: -34.849 tors. eta vs tors. theta energy: 1.077 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: 357 Temperature: 0.900000 Total energy: -1369.721688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.721688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.721688 (E_RNA) where: Base-Base interactions energy: -946.473 where: short stacking energy: -431.222 Base-Backbone interact. energy: -1.440 local terms energy: -421.807990 where: bonds (distance) C4'-P energy: -80.359 bonds (distance) P-C4' energy: -72.708 flat angles C4'-P-C4' energy: -84.563 flat angles P-C4'-P energy: -55.972 tors. eta vs tors. theta energy: -128.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1347.843121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.843121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.843121 (E_RNA) where: Base-Base interactions energy: -933.429 where: short stacking energy: -391.446 Base-Backbone interact. energy: -0.305 local terms energy: -414.109648 where: bonds (distance) C4'-P energy: -75.649 bonds (distance) P-C4' energy: -78.320 flat angles C4'-P-C4' energy: -81.247 flat angles P-C4'-P energy: -61.262 tors. eta vs tors. theta energy: -117.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1329.195511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.195511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.195511 (E_RNA) where: Base-Base interactions energy: -921.921 where: short stacking energy: -400.013 Base-Backbone interact. energy: -1.641 local terms energy: -405.633313 where: bonds (distance) C4'-P energy: -70.999 bonds (distance) P-C4' energy: -76.613 flat angles C4'-P-C4' energy: -79.132 flat angles P-C4'-P energy: -61.629 tors. eta vs tors. theta energy: -117.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1225.705313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.705313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.705313 (E_RNA) where: Base-Base interactions energy: -834.700 where: short stacking energy: -368.765 Base-Backbone interact. energy: 2.010 local terms energy: -393.014984 where: bonds (distance) C4'-P energy: -70.650 bonds (distance) P-C4' energy: -72.130 flat angles C4'-P-C4' energy: -82.441 flat angles P-C4'-P energy: -61.887 tors. eta vs tors. theta energy: -105.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1199.572129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.572129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.572129 (E_RNA) where: Base-Base interactions energy: -808.309 where: short stacking energy: -335.863 Base-Backbone interact. energy: -0.721 local terms energy: -390.541309 where: bonds (distance) C4'-P energy: -79.488 bonds (distance) P-C4' energy: -80.495 flat angles C4'-P-C4' energy: -81.044 flat angles P-C4'-P energy: -54.930 tors. eta vs tors. theta energy: -94.583 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: 7 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1098.881489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.881489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.881489 (E_RNA) where: Base-Base interactions energy: -734.004 where: short stacking energy: -325.405 Base-Backbone interact. energy: -2.034 local terms energy: -362.843420 where: bonds (distance) C4'-P energy: -67.706 bonds (distance) P-C4' energy: -75.438 flat angles C4'-P-C4' energy: -70.853 flat angles P-C4'-P energy: -52.952 tors. eta vs tors. theta energy: -95.895 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: 9 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1003.032665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.032665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.032665 (E_RNA) where: Base-Base interactions energy: -643.417 where: short stacking energy: -289.253 Base-Backbone interact. energy: -0.840 local terms energy: -358.776022 where: bonds (distance) C4'-P energy: -64.728 bonds (distance) P-C4' energy: -75.557 flat angles C4'-P-C4' energy: -80.151 flat angles P-C4'-P energy: -52.333 tors. eta vs tors. theta energy: -86.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -686.675289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.675289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.675289 (E_RNA) where: Base-Base interactions energy: -418.867 where: short stacking energy: -207.835 Base-Backbone interact. energy: -3.121 local terms energy: -264.687556 where: bonds (distance) C4'-P energy: -60.237 bonds (distance) P-C4' energy: -66.815 flat angles C4'-P-C4' energy: -58.536 flat angles P-C4'-P energy: -33.676 tors. eta vs tors. theta energy: -45.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -351.628436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.628436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.628436 (E_RNA) where: Base-Base interactions energy: -141.268 where: short stacking energy: -111.108 Base-Backbone interact. energy: -1.896 local terms energy: -208.464331 where: bonds (distance) C4'-P energy: -46.743 bonds (distance) P-C4' energy: -73.555 flat angles C4'-P-C4' energy: -61.819 flat angles P-C4'-P energy: -32.340 tors. eta vs tors. theta energy: 5.993 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: 10, replica: 8 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -312.899402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.899402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.899402 (E_RNA) where: Base-Base interactions energy: -115.124 where: short stacking energy: -79.137 Base-Backbone interact. energy: -0.876 local terms energy: -196.899228 where: bonds (distance) C4'-P energy: -54.100 bonds (distance) P-C4' energy: -63.449 flat angles C4'-P-C4' energy: -55.061 flat angles P-C4'-P energy: -37.710 tors. eta vs tors. theta energy: 13.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1379.415945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.415945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.415945 (E_RNA) where: Base-Base interactions energy: -930.130 where: short stacking energy: -423.293 Base-Backbone interact. energy: -1.102 local terms energy: -448.183860 where: bonds (distance) C4'-P energy: -88.098 bonds (distance) P-C4' energy: -73.519 flat angles C4'-P-C4' energy: -93.169 flat angles P-C4'-P energy: -63.251 tors. eta vs tors. theta energy: -130.147 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: 358 Temperature: 0.950000 Total energy: -1340.154200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.154200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.154200 (E_RNA) where: Base-Base interactions energy: -921.834 where: short stacking energy: -393.110 Base-Backbone interact. energy: -1.465 local terms energy: -416.855803 where: bonds (distance) C4'-P energy: -70.323 bonds (distance) P-C4' energy: -75.860 flat angles C4'-P-C4' energy: -88.820 flat angles P-C4'-P energy: -57.819 tors. eta vs tors. theta energy: -124.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1339.382680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.382680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.382680 (E_RNA) where: Base-Base interactions energy: -921.402 where: short stacking energy: -395.253 Base-Backbone interact. energy: -0.081 local terms energy: -417.899793 where: bonds (distance) C4'-P energy: -78.951 bonds (distance) P-C4' energy: -81.058 flat angles C4'-P-C4' energy: -83.009 flat angles P-C4'-P energy: -57.059 tors. eta vs tors. theta energy: -117.823 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: 10 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1221.584176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.584176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.584176 (E_RNA) where: Base-Base interactions energy: -845.983 where: short stacking energy: -360.027 Base-Backbone interact. energy: 0.062 local terms energy: -375.663455 where: bonds (distance) C4'-P energy: -69.717 bonds (distance) P-C4' energy: -67.897 flat angles C4'-P-C4' energy: -80.638 flat angles P-C4'-P energy: -57.400 tors. eta vs tors. theta energy: -100.011 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: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1192.326023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.326023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.326023 (E_RNA) where: Base-Base interactions energy: -806.636 where: short stacking energy: -333.541 Base-Backbone interact. energy: 0.547 local terms energy: -386.236657 where: bonds (distance) C4'-P energy: -64.041 bonds (distance) P-C4' energy: -81.932 flat angles C4'-P-C4' energy: -89.111 flat angles P-C4'-P energy: -51.884 tors. eta vs tors. theta energy: -99.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1082.624957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.624957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.624957 (E_RNA) where: Base-Base interactions energy: -722.698 where: short stacking energy: -319.116 Base-Backbone interact. energy: 0.374 local terms energy: -360.300578 where: bonds (distance) C4'-P energy: -71.563 bonds (distance) P-C4' energy: -67.038 flat angles C4'-P-C4' energy: -77.295 flat angles P-C4'-P energy: -53.435 tors. eta vs tors. theta energy: -90.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -998.139366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.139366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.139366 (E_RNA) where: Base-Base interactions energy: -658.732 where: short stacking energy: -298.040 Base-Backbone interact. energy: -1.228 local terms energy: -338.179667 where: bonds (distance) C4'-P energy: -74.067 bonds (distance) P-C4' energy: -74.346 flat angles C4'-P-C4' energy: -61.141 flat angles P-C4'-P energy: -44.444 tors. eta vs tors. theta energy: -84.182 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: 5 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -684.766312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.766312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.766312 (E_RNA) where: Base-Base interactions energy: -410.615 where: short stacking energy: -193.809 Base-Backbone interact. energy: 0.051 local terms energy: -274.201946 where: bonds (distance) C4'-P energy: -72.129 bonds (distance) P-C4' energy: -66.098 flat angles C4'-P-C4' energy: -66.533 flat angles P-C4'-P energy: -40.155 tors. eta vs tors. theta energy: -29.287 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: 358 Temperature: 1.300000 Total energy: -391.376740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.376740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.376740 (E_RNA) where: Base-Base interactions energy: -150.610 where: short stacking energy: -98.235 Base-Backbone interact. energy: -0.158 local terms energy: -240.609532 where: bonds (distance) C4'-P energy: -77.834 bonds (distance) P-C4' energy: -75.409 flat angles C4'-P-C4' energy: -71.418 flat angles P-C4'-P energy: -24.552 tors. eta vs tors. theta energy: 8.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -311.289141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.289141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.289141 (E_RNA) where: Base-Base interactions energy: -128.254 where: short stacking energy: -93.205 Base-Backbone interact. energy: -1.779 local terms energy: -181.256450 where: bonds (distance) C4'-P energy: -63.210 bonds (distance) P-C4' energy: -41.494 flat angles C4'-P-C4' energy: -60.822 flat angles P-C4'-P energy: -23.621 tors. eta vs tors. theta energy: 7.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1360.578317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.578317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.578317 (E_RNA) where: Base-Base interactions energy: -923.956 where: short stacking energy: -418.304 Base-Backbone interact. energy: -1.117 local terms energy: -435.504813 where: bonds (distance) C4'-P energy: -78.503 bonds (distance) P-C4' energy: -81.484 flat angles C4'-P-C4' energy: -90.164 flat angles P-C4'-P energy: -66.864 tors. eta vs tors. theta energy: -118.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1342.176776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.176776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.176776 (E_RNA) where: Base-Base interactions energy: -933.184 where: short stacking energy: -384.893 Base-Backbone interact. energy: 0.577 local terms energy: -409.569812 where: bonds (distance) C4'-P energy: -72.167 bonds (distance) P-C4' energy: -74.117 flat angles C4'-P-C4' energy: -85.172 flat angles P-C4'-P energy: -59.571 tors. eta vs tors. theta energy: -118.544 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: 3 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1296.135083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.135083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.135083 (E_RNA) where: Base-Base interactions energy: -889.848 where: short stacking energy: -390.752 Base-Backbone interact. energy: -0.948 local terms energy: -405.338529 where: bonds (distance) C4'-P energy: -77.531 bonds (distance) P-C4' energy: -75.782 flat angles C4'-P-C4' energy: -83.846 flat angles P-C4'-P energy: -55.013 tors. eta vs tors. theta energy: -113.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1217.868364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.868364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.868364 (E_RNA) where: Base-Base interactions energy: -826.032 where: short stacking energy: -357.606 Base-Backbone interact. energy: -1.204 local terms energy: -390.632894 where: bonds (distance) C4'-P energy: -58.625 bonds (distance) P-C4' energy: -75.157 flat angles C4'-P-C4' energy: -86.512 flat angles P-C4'-P energy: -65.012 tors. eta vs tors. theta energy: -105.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1180.163348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.163348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.163348 (E_RNA) where: Base-Base interactions energy: -815.988 where: short stacking energy: -359.061 Base-Backbone interact. energy: -1.558 local terms energy: -362.616612 where: bonds (distance) C4'-P energy: -63.118 bonds (distance) P-C4' energy: -77.040 flat angles C4'-P-C4' energy: -81.105 flat angles P-C4'-P energy: -43.288 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: 6, replica: 7 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1118.524902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.524902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.524902 (E_RNA) where: Base-Base interactions energy: -766.512 where: short stacking energy: -334.899 Base-Backbone interact. energy: -1.507 local terms energy: -350.506642 where: bonds (distance) C4'-P energy: -58.676 bonds (distance) P-C4' energy: -66.278 flat angles C4'-P-C4' energy: -87.867 flat angles P-C4'-P energy: -42.864 tors. eta vs tors. theta energy: -94.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1019.729207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.729207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.729207 (E_RNA) where: Base-Base interactions energy: -690.677 where: short stacking energy: -326.991 Base-Backbone interact. energy: -0.907 local terms energy: -328.144585 where: bonds (distance) C4'-P energy: -55.746 bonds (distance) P-C4' energy: -61.460 flat angles C4'-P-C4' energy: -78.057 flat angles P-C4'-P energy: -47.254 tors. eta vs tors. theta energy: -85.628 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: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -688.523288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.523288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.523288 (E_RNA) where: Base-Base interactions energy: -420.434 where: short stacking energy: -212.334 Base-Backbone interact. energy: 1.170 local terms energy: -269.259041 where: bonds (distance) C4'-P energy: -57.850 bonds (distance) P-C4' energy: -59.695 flat angles C4'-P-C4' energy: -79.203 flat angles P-C4'-P energy: -37.357 tors. eta vs tors. theta energy: -35.154 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: 9, replica: 1 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -380.830233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.830233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.830233 (E_RNA) where: Base-Base interactions energy: -155.023 where: short stacking energy: -119.629 Base-Backbone interact. energy: 3.598 local terms energy: -229.405309 where: bonds (distance) C4'-P energy: -61.072 bonds (distance) P-C4' energy: -60.899 flat angles C4'-P-C4' energy: -56.764 flat angles P-C4'-P energy: -43.876 tors. eta vs tors. theta energy: -6.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -338.263076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.263076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.263076 (E_RNA) where: Base-Base interactions energy: -119.862 where: short stacking energy: -108.400 Base-Backbone interact. energy: -0.959 local terms energy: -217.441363 where: bonds (distance) C4'-P energy: -68.845 bonds (distance) P-C4' energy: -71.154 flat angles C4'-P-C4' energy: -57.014 flat angles P-C4'-P energy: -30.652 tors. eta vs tors. theta energy: 10.225 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: 6 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1355.942885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.942885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.942885 (E_RNA) where: Base-Base interactions energy: -923.488 where: short stacking energy: -415.411 Base-Backbone interact. energy: -0.432 local terms energy: -432.023205 where: bonds (distance) C4'-P energy: -81.547 bonds (distance) P-C4' energy: -86.934 flat angles C4'-P-C4' energy: -93.418 flat angles P-C4'-P energy: -55.326 tors. eta vs tors. theta energy: -114.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1350.020655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.020655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.020655 (E_RNA) where: Base-Base interactions energy: -940.737 where: short stacking energy: -406.261 Base-Backbone interact. energy: -1.101 local terms energy: -408.182763 where: bonds (distance) C4'-P energy: -72.547 bonds (distance) P-C4' energy: -82.162 flat angles C4'-P-C4' energy: -82.371 flat angles P-C4'-P energy: -56.105 tors. eta vs tors. theta energy: -114.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1296.082449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.082449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.082449 (E_RNA) where: Base-Base interactions energy: -883.156 where: short stacking energy: -380.618 Base-Backbone interact. energy: -1.702 local terms energy: -411.224946 where: bonds (distance) C4'-P energy: -79.363 bonds (distance) P-C4' energy: -77.743 flat angles C4'-P-C4' energy: -93.519 flat angles P-C4'-P energy: -53.729 tors. eta vs tors. theta energy: -106.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1226.352631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.352631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.352631 (E_RNA) where: Base-Base interactions energy: -842.333 where: short stacking energy: -345.889 Base-Backbone interact. energy: -0.877 local terms energy: -383.143479 where: bonds (distance) C4'-P energy: -68.389 bonds (distance) P-C4' energy: -79.767 flat angles C4'-P-C4' energy: -78.069 flat angles P-C4'-P energy: -56.344 tors. eta vs tors. theta energy: -100.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1177.987801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.987801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.987801 (E_RNA) where: Base-Base interactions energy: -815.406 where: short stacking energy: -356.668 Base-Backbone interact. energy: -1.442 local terms energy: -361.139924 where: bonds (distance) C4'-P energy: -64.498 bonds (distance) P-C4' energy: -63.057 flat angles C4'-P-C4' energy: -77.055 flat angles P-C4'-P energy: -61.006 tors. eta vs tors. theta energy: -95.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1098.954405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.954405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.954405 (E_RNA) where: Base-Base interactions energy: -741.451 where: short stacking energy: -336.105 Base-Backbone interact. energy: -0.745 local terms energy: -356.758506 where: bonds (distance) C4'-P energy: -62.154 bonds (distance) P-C4' energy: -81.193 flat angles C4'-P-C4' energy: -67.748 flat angles P-C4'-P energy: -43.296 tors. eta vs tors. theta energy: -102.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1053.064233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.064233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.064233 (E_RNA) where: Base-Base interactions energy: -703.638 where: short stacking energy: -328.450 Base-Backbone interact. energy: 0.686 local terms energy: -350.112856 where: bonds (distance) C4'-P energy: -71.027 bonds (distance) P-C4' energy: -76.922 flat angles C4'-P-C4' energy: -76.012 flat angles P-C4'-P energy: -38.464 tors. eta vs tors. theta energy: -87.688 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: 8, replica: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -714.882961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.882961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.882961 (E_RNA) where: Base-Base interactions energy: -438.188 where: short stacking energy: -200.827 Base-Backbone interact. energy: 0.187 local terms energy: -276.881909 where: bonds (distance) C4'-P energy: -70.993 bonds (distance) P-C4' energy: -71.771 flat angles C4'-P-C4' energy: -59.383 flat angles P-C4'-P energy: -42.845 tors. eta vs tors. theta energy: -31.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -340.692494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.692494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.692494 (E_RNA) where: Base-Base interactions energy: -128.201 where: short stacking energy: -96.229 Base-Backbone interact. energy: 0.299 local terms energy: -212.790134 where: bonds (distance) C4'-P energy: -60.661 bonds (distance) P-C4' energy: -76.351 flat angles C4'-P-C4' energy: -35.074 flat angles P-C4'-P energy: -42.288 tors. eta vs tors. theta energy: 1.585 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: 8 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -335.218365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.218365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.218365 (E_RNA) where: Base-Base interactions energy: -130.612 where: short stacking energy: -97.611 Base-Backbone interact. energy: -2.551 local terms energy: -202.054488 where: bonds (distance) C4'-P energy: -61.693 bonds (distance) P-C4' energy: -61.380 flat angles C4'-P-C4' energy: -56.089 flat angles P-C4'-P energy: -28.677 tors. eta vs tors. theta energy: 5.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1376.210200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.210200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.210200 (E_RNA) where: Base-Base interactions energy: -938.694 where: short stacking energy: -406.990 Base-Backbone interact. energy: -2.909 local terms energy: -434.607378 where: bonds (distance) C4'-P energy: -85.569 bonds (distance) P-C4' energy: -77.982 flat angles C4'-P-C4' energy: -94.303 flat angles P-C4'-P energy: -63.558 tors. eta vs tors. theta energy: -113.195 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: 4 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1368.964272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.964272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.964272 (E_RNA) where: Base-Base interactions energy: -941.783 where: short stacking energy: -385.688 Base-Backbone interact. energy: -2.981 local terms energy: -424.200478 where: bonds (distance) C4'-P energy: -88.256 bonds (distance) P-C4' energy: -71.706 flat angles C4'-P-C4' energy: -85.984 flat angles P-C4'-P energy: -66.080 tors. eta vs tors. theta energy: -112.174 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: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1295.441969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.441969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.441969 (E_RNA) where: Base-Base interactions energy: -910.099 where: short stacking energy: -401.012 Base-Backbone interact. energy: -2.500 local terms energy: -382.842443 where: bonds (distance) C4'-P energy: -69.910 bonds (distance) P-C4' energy: -76.636 flat angles C4'-P-C4' energy: -83.673 flat angles P-C4'-P energy: -47.876 tors. eta vs tors. theta energy: -104.748 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: 2 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1240.395845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.395845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.395845 (E_RNA) where: Base-Base interactions energy: -876.314 where: short stacking energy: -378.472 Base-Backbone interact. energy: -2.867 local terms energy: -361.214828 where: bonds (distance) C4'-P energy: -63.185 bonds (distance) P-C4' energy: -56.550 flat angles C4'-P-C4' energy: -82.191 flat angles P-C4'-P energy: -55.073 tors. eta vs tors. theta energy: -104.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1197.286256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.286256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.286256 (E_RNA) where: Base-Base interactions energy: -832.364 where: short stacking energy: -355.634 Base-Backbone interact. energy: -1.665 local terms energy: -363.257056 where: bonds (distance) C4'-P energy: -68.657 bonds (distance) P-C4' energy: -68.875 flat angles C4'-P-C4' energy: -73.927 flat angles P-C4'-P energy: -48.290 tors. eta vs tors. theta energy: -103.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1122.737588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.737588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.737588 (E_RNA) where: Base-Base interactions energy: -760.430 where: short stacking energy: -350.232 Base-Backbone interact. energy: -2.065 local terms energy: -360.242510 where: bonds (distance) C4'-P energy: -60.266 bonds (distance) P-C4' energy: -57.907 flat angles C4'-P-C4' energy: -79.840 flat angles P-C4'-P energy: -51.783 tors. eta vs tors. theta energy: -110.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1052.991647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.991647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.991647 (E_RNA) where: Base-Base interactions energy: -725.546 where: short stacking energy: -315.108 Base-Backbone interact. energy: -2.006 local terms energy: -325.439472 where: bonds (distance) C4'-P energy: -67.095 bonds (distance) P-C4' energy: -71.146 flat angles C4'-P-C4' energy: -68.404 flat angles P-C4'-P energy: -45.659 tors. eta vs tors. theta energy: -73.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -764.552969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.552969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.552969 (E_RNA) where: Base-Base interactions energy: -480.777 where: short stacking energy: -243.380 Base-Backbone interact. energy: 1.166 local terms energy: -284.941632 where: bonds (distance) C4'-P energy: -66.725 bonds (distance) P-C4' energy: -58.174 flat angles C4'-P-C4' energy: -65.931 flat angles P-C4'-P energy: -43.550 tors. eta vs tors. theta energy: -50.562 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: 1 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -367.087979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.087979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.087979 (E_RNA) where: Base-Base interactions energy: -162.426 where: short stacking energy: -125.986 Base-Backbone interact. energy: 0.731 local terms energy: -205.393123 where: bonds (distance) C4'-P energy: -66.802 bonds (distance) P-C4' energy: -57.759 flat angles C4'-P-C4' energy: -57.556 flat angles P-C4'-P energy: -38.933 tors. eta vs tors. theta energy: 15.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -334.664416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.664416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.664416 (E_RNA) where: Base-Base interactions energy: -123.205 where: short stacking energy: -87.249 Base-Backbone interact. energy: -2.266 local terms energy: -209.193047 where: bonds (distance) C4'-P energy: -57.080 bonds (distance) P-C4' energy: -60.906 flat angles C4'-P-C4' energy: -56.546 flat angles P-C4'-P energy: -44.600 tors. eta vs tors. theta energy: 9.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1373.878568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.878568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.878568 (E_RNA) where: Base-Base interactions energy: -955.308 where: short stacking energy: -409.328 Base-Backbone interact. energy: -1.095 local terms energy: -417.476226 where: bonds (distance) C4'-P energy: -74.461 bonds (distance) P-C4' energy: -78.822 flat angles C4'-P-C4' energy: -86.090 flat angles P-C4'-P energy: -59.019 tors. eta vs tors. theta energy: -119.085 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: 4 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1366.174336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.174336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.174336 (E_RNA) where: Base-Base interactions energy: -956.046 where: short stacking energy: -408.366 Base-Backbone interact. energy: 1.062 local terms energy: -411.189929 where: bonds (distance) C4'-P energy: -75.829 bonds (distance) P-C4' energy: -74.514 flat angles C4'-P-C4' energy: -89.172 flat angles P-C4'-P energy: -53.411 tors. eta vs tors. theta energy: -118.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1266.079810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.079810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.079810 (E_RNA) where: Base-Base interactions energy: -852.803 where: short stacking energy: -363.295 Base-Backbone interact. energy: -0.097 local terms energy: -413.179164 where: bonds (distance) C4'-P energy: -79.160 bonds (distance) P-C4' energy: -90.045 flat angles C4'-P-C4' energy: -83.312 flat angles P-C4'-P energy: -58.923 tors. eta vs tors. theta energy: -101.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1221.281480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.281480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.281480 (E_RNA) where: Base-Base interactions energy: -843.588 where: short stacking energy: -349.515 Base-Backbone interact. energy: -1.869 local terms energy: -375.824710 where: bonds (distance) C4'-P energy: -66.919 bonds (distance) P-C4' energy: -72.296 flat angles C4'-P-C4' energy: -83.880 flat angles P-C4'-P energy: -57.725 tors. eta vs tors. theta energy: -95.005 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: 10 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1213.133791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.133791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.133791 (E_RNA) where: Base-Base interactions energy: -837.308 where: short stacking energy: -373.199 Base-Backbone interact. energy: -1.131 local terms energy: -374.695299 where: bonds (distance) C4'-P energy: -71.643 bonds (distance) P-C4' energy: -72.462 flat angles C4'-P-C4' energy: -77.346 flat angles P-C4'-P energy: -40.925 tors. eta vs tors. theta energy: -112.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1113.379002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.379002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.379002 (E_RNA) where: Base-Base interactions energy: -733.753 where: short stacking energy: -334.675 Base-Backbone interact. energy: -3.007 local terms energy: -376.619706 where: bonds (distance) C4'-P energy: -53.352 bonds (distance) P-C4' energy: -78.691 flat angles C4'-P-C4' energy: -82.618 flat angles P-C4'-P energy: -55.609 tors. eta vs tors. theta energy: -106.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1066.203830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.203830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.203830 (E_RNA) where: Base-Base interactions energy: -719.993 where: short stacking energy: -322.434 Base-Backbone interact. energy: -0.622 local terms energy: -345.589026 where: bonds (distance) C4'-P energy: -73.212 bonds (distance) P-C4' energy: -62.531 flat angles C4'-P-C4' energy: -77.229 flat angles P-C4'-P energy: -48.474 tors. eta vs tors. theta energy: -84.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -778.972213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.972213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.972213 (E_RNA) where: Base-Base interactions energy: -483.824 where: short stacking energy: -223.139 Base-Backbone interact. energy: -1.069 local terms energy: -294.078505 where: bonds (distance) C4'-P energy: -77.739 bonds (distance) P-C4' energy: -55.911 flat angles C4'-P-C4' energy: -71.206 flat angles P-C4'-P energy: -35.715 tors. eta vs tors. theta energy: -53.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -391.900240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.900240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.900240 (E_RNA) where: Base-Base interactions energy: -187.936 where: short stacking energy: -124.206 Base-Backbone interact. energy: -1.998 local terms energy: -201.966595 where: bonds (distance) C4'-P energy: -70.369 bonds (distance) P-C4' energy: -47.916 flat angles C4'-P-C4' energy: -57.224 flat angles P-C4'-P energy: -32.494 tors. eta vs tors. theta energy: 6.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -320.349885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.349885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.349885 (E_RNA) where: Base-Base interactions energy: -108.750 where: short stacking energy: -85.370 Base-Backbone interact. energy: 6.776 local terms energy: -218.375689 where: bonds (distance) C4'-P energy: -60.644 bonds (distance) P-C4' energy: -67.619 flat angles C4'-P-C4' energy: -61.179 flat angles P-C4'-P energy: -40.661 tors. eta vs tors. theta energy: 11.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1386.360308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.360308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.360308 (E_RNA) where: Base-Base interactions energy: -962.398 where: short stacking energy: -420.616 Base-Backbone interact. energy: -1.019 local terms energy: -422.943910 where: bonds (distance) C4'-P energy: -75.373 bonds (distance) P-C4' energy: -73.793 flat angles C4'-P-C4' energy: -87.863 flat angles P-C4'-P energy: -61.388 tors. eta vs tors. theta energy: -124.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1366.837002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.837002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.837002 (E_RNA) where: Base-Base interactions energy: -931.889 where: short stacking energy: -415.638 Base-Backbone interact. energy: 0.115 local terms energy: -435.062376 where: bonds (distance) C4'-P energy: -82.313 bonds (distance) P-C4' energy: -83.097 flat angles C4'-P-C4' energy: -92.861 flat angles P-C4'-P energy: -60.416 tors. eta vs tors. theta energy: -116.375 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: 363 Temperature: 1.000000 Total energy: -1287.691782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.691782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.691782 (E_RNA) where: Base-Base interactions energy: -887.145 where: short stacking energy: -366.546 Base-Backbone interact. energy: -1.197 local terms energy: -399.350227 where: bonds (distance) C4'-P energy: -73.425 bonds (distance) P-C4' energy: -78.564 flat angles C4'-P-C4' energy: -79.015 flat angles P-C4'-P energy: -62.972 tors. eta vs tors. theta energy: -105.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1223.648442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.648442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.648442 (E_RNA) where: Base-Base interactions energy: -830.992 where: short stacking energy: -344.074 Base-Backbone interact. energy: -0.798 local terms energy: -391.858533 where: bonds (distance) C4'-P energy: -68.825 bonds (distance) P-C4' energy: -85.191 flat angles C4'-P-C4' energy: -85.819 flat angles P-C4'-P energy: -45.131 tors. eta vs tors. theta energy: -106.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1183.622671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.622671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.622671 (E_RNA) where: Base-Base interactions energy: -808.487 where: short stacking energy: -362.033 Base-Backbone interact. energy: -0.256 local terms energy: -374.880061 where: bonds (distance) C4'-P energy: -63.161 bonds (distance) P-C4' energy: -79.748 flat angles C4'-P-C4' energy: -86.387 flat angles P-C4'-P energy: -47.571 tors. eta vs tors. theta energy: -98.012 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: 363 Temperature: 1.150000 Total energy: -1165.459093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.459093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.459093 (E_RNA) where: Base-Base interactions energy: -800.210 where: short stacking energy: -369.822 Base-Backbone interact. energy: 0.922 local terms energy: -366.171335 where: bonds (distance) C4'-P energy: -64.454 bonds (distance) P-C4' energy: -77.175 flat angles C4'-P-C4' energy: -75.550 flat angles P-C4'-P energy: -46.055 tors. eta vs tors. theta energy: -102.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1045.262145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.262145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.262145 (E_RNA) where: Base-Base interactions energy: -711.357 where: short stacking energy: -304.151 Base-Backbone interact. energy: -1.733 local terms energy: -332.172644 where: bonds (distance) C4'-P energy: -59.887 bonds (distance) P-C4' energy: -70.467 flat angles C4'-P-C4' energy: -81.751 flat angles P-C4'-P energy: -33.902 tors. eta vs tors. theta energy: -86.165 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: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -720.541447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.541447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.541447 (E_RNA) where: Base-Base interactions energy: -464.841 where: short stacking energy: -212.107 Base-Backbone interact. energy: 2.333 local terms energy: -258.033329 where: bonds (distance) C4'-P energy: -54.696 bonds (distance) P-C4' energy: -64.246 flat angles C4'-P-C4' energy: -70.751 flat angles P-C4'-P energy: -30.144 tors. eta vs tors. theta energy: -38.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -463.448987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.448987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.448987 (E_RNA) where: Base-Base interactions energy: -245.990 where: short stacking energy: -139.744 Base-Backbone interact. energy: -1.678 local terms energy: -215.780157 where: bonds (distance) C4'-P energy: -61.602 bonds (distance) P-C4' energy: -68.631 flat angles C4'-P-C4' energy: -51.342 flat angles P-C4'-P energy: -24.246 tors. eta vs tors. theta energy: -9.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -325.708219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.708219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.708219 (E_RNA) where: Base-Base interactions energy: -111.456 where: short stacking energy: -104.843 Base-Backbone interact. energy: 4.909 local terms energy: -219.161589 where: bonds (distance) C4'-P energy: -65.670 bonds (distance) P-C4' energy: -61.632 flat angles C4'-P-C4' energy: -59.354 flat angles P-C4'-P energy: -38.646 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: 1, replica: 6 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1382.198755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.198755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.198755 (E_RNA) where: Base-Base interactions energy: -961.538 where: short stacking energy: -407.765 Base-Backbone interact. energy: -3.606 local terms energy: -417.054795 where: bonds (distance) C4'-P energy: -73.469 bonds (distance) P-C4' energy: -74.297 flat angles C4'-P-C4' energy: -88.654 flat angles P-C4'-P energy: -64.563 tors. eta vs tors. theta energy: -116.073 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: 4 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1328.522466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.522466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.522466 (E_RNA) where: Base-Base interactions energy: -924.044 where: short stacking energy: -389.578 Base-Backbone interact. energy: -1.710 local terms energy: -402.768395 where: bonds (distance) C4'-P energy: -69.503 bonds (distance) P-C4' energy: -77.446 flat angles C4'-P-C4' energy: -82.885 flat angles P-C4'-P energy: -60.625 tors. eta vs tors. theta energy: -112.309 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: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1312.746495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.746495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.746495 (E_RNA) where: Base-Base interactions energy: -905.913 where: short stacking energy: -401.508 Base-Backbone interact. energy: -1.437 local terms energy: -405.397051 where: bonds (distance) C4'-P energy: -78.063 bonds (distance) P-C4' energy: -74.067 flat angles C4'-P-C4' energy: -82.496 flat angles P-C4'-P energy: -54.166 tors. eta vs tors. theta energy: -116.606 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: 2 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1217.660940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.660940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.660940 (E_RNA) where: Base-Base interactions energy: -834.045 where: short stacking energy: -371.671 Base-Backbone interact. energy: 0.099 local terms energy: -383.715497 where: bonds (distance) C4'-P energy: -66.203 bonds (distance) P-C4' energy: -71.152 flat angles C4'-P-C4' energy: -84.092 flat angles P-C4'-P energy: -52.368 tors. eta vs tors. theta energy: -109.901 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: 10 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1186.224294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.224294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.224294 (E_RNA) where: Base-Base interactions energy: -806.914 where: short stacking energy: -346.694 Base-Backbone interact. energy: -1.458 local terms energy: -377.851821 where: bonds (distance) C4'-P energy: -77.808 bonds (distance) P-C4' energy: -71.646 flat angles C4'-P-C4' energy: -82.202 flat angles P-C4'-P energy: -54.089 tors. eta vs tors. theta energy: -92.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1142.186102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.186102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.186102 (E_RNA) where: Base-Base interactions energy: -773.930 where: short stacking energy: -343.069 Base-Backbone interact. energy: -1.652 local terms energy: -366.604746 where: bonds (distance) C4'-P energy: -63.660 bonds (distance) P-C4' energy: -65.682 flat angles C4'-P-C4' energy: -81.171 flat angles P-C4'-P energy: -52.955 tors. eta vs tors. theta energy: -103.136 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: 364 Temperature: 1.200000 Total energy: -1058.912190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.912190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.912190 (E_RNA) where: Base-Base interactions energy: -717.336 where: short stacking energy: -336.640 Base-Backbone interact. energy: -0.914 local terms energy: -340.662102 where: bonds (distance) C4'-P energy: -64.375 bonds (distance) P-C4' energy: -57.938 flat angles C4'-P-C4' energy: -72.679 flat angles P-C4'-P energy: -50.318 tors. eta vs tors. theta energy: -95.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -745.236439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.236439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.236439 (E_RNA) where: Base-Base interactions energy: -463.009 where: short stacking energy: -211.348 Base-Backbone interact. energy: 7.581 local terms energy: -289.807749 where: bonds (distance) C4'-P energy: -79.418 bonds (distance) P-C4' energy: -73.789 flat angles C4'-P-C4' energy: -60.562 flat angles P-C4'-P energy: -44.884 tors. eta vs tors. theta energy: -31.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -426.639054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.639054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.639054 (E_RNA) where: Base-Base interactions energy: -198.584 where: short stacking energy: -115.191 Base-Backbone interact. energy: 1.202 local terms energy: -229.256674 where: bonds (distance) C4'-P energy: -64.647 bonds (distance) P-C4' energy: -76.763 flat angles C4'-P-C4' energy: -54.366 flat angles P-C4'-P energy: -35.026 tors. eta vs tors. theta energy: 1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -341.963676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.963676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.963676 (E_RNA) where: Base-Base interactions energy: -122.129 where: short stacking energy: -79.223 Base-Backbone interact. energy: 1.495 local terms energy: -221.329305 where: bonds (distance) C4'-P energy: -52.149 bonds (distance) P-C4' energy: -70.549 flat angles C4'-P-C4' energy: -59.142 flat angles P-C4'-P energy: -48.674 tors. eta vs tors. theta energy: 9.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1371.423184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.423184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.423184 (E_RNA) where: Base-Base interactions energy: -955.132 where: short stacking energy: -393.627 Base-Backbone interact. energy: -2.238 local terms energy: -414.053149 where: bonds (distance) C4'-P energy: -79.712 bonds (distance) P-C4' energy: -78.935 flat angles C4'-P-C4' energy: -85.515 flat angles P-C4'-P energy: -51.678 tors. eta vs tors. theta energy: -118.213 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: 4 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1345.618418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.618418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.618418 (E_RNA) where: Base-Base interactions energy: -927.675 where: short stacking energy: -389.215 Base-Backbone interact. energy: -0.713 local terms energy: -417.230840 where: bonds (distance) C4'-P energy: -72.221 bonds (distance) P-C4' energy: -85.422 flat angles C4'-P-C4' energy: -83.480 flat angles P-C4'-P energy: -62.859 tors. eta vs tors. theta energy: -113.249 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: 3 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1326.207132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.207132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.207132 (E_RNA) where: Base-Base interactions energy: -909.959 where: short stacking energy: -403.588 Base-Backbone interact. energy: -1.622 local terms energy: -414.625567 where: bonds (distance) C4'-P energy: -78.532 bonds (distance) P-C4' energy: -68.909 flat angles C4'-P-C4' energy: -89.823 flat angles P-C4'-P energy: -63.538 tors. eta vs tors. theta energy: -113.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1223.105742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.105742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.105742 (E_RNA) where: Base-Base interactions energy: -845.075 where: short stacking energy: -374.536 Base-Backbone interact. energy: -0.233 local terms energy: -377.798029 where: bonds (distance) C4'-P energy: -71.013 bonds (distance) P-C4' energy: -66.764 flat angles C4'-P-C4' energy: -81.375 flat angles P-C4'-P energy: -45.019 tors. eta vs tors. theta energy: -113.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1194.456979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.456979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.456979 (E_RNA) where: Base-Base interactions energy: -825.039 where: short stacking energy: -362.195 Base-Backbone interact. energy: 0.087 local terms energy: -369.505176 where: bonds (distance) C4'-P energy: -69.372 bonds (distance) P-C4' energy: -63.400 flat angles C4'-P-C4' energy: -75.834 flat angles P-C4'-P energy: -48.822 tors. eta vs tors. theta energy: -112.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1125.287651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.287651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.287651 (E_RNA) where: Base-Base interactions energy: -754.875 where: short stacking energy: -338.769 Base-Backbone interact. energy: 0.656 local terms energy: -371.068011 where: bonds (distance) C4'-P energy: -61.638 bonds (distance) P-C4' energy: -65.603 flat angles C4'-P-C4' energy: -88.868 flat angles P-C4'-P energy: -55.362 tors. eta vs tors. theta energy: -99.597 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: 7 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1095.107884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.107884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.107884 (E_RNA) where: Base-Base interactions energy: -748.388 where: short stacking energy: -344.414 Base-Backbone interact. energy: -0.704 local terms energy: -346.015136 where: bonds (distance) C4'-P energy: -66.676 bonds (distance) P-C4' energy: -69.445 flat angles C4'-P-C4' energy: -61.083 flat angles P-C4'-P energy: -51.421 tors. eta vs tors. theta energy: -97.391 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: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -754.214163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.214163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.214163 (E_RNA) where: Base-Base interactions energy: -470.611 where: short stacking energy: -220.828 Base-Backbone interact. energy: 0.439 local terms energy: -284.042099 where: bonds (distance) C4'-P energy: -62.149 bonds (distance) P-C4' energy: -62.197 flat angles C4'-P-C4' energy: -67.128 flat angles P-C4'-P energy: -50.653 tors. eta vs tors. theta energy: -41.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -434.916720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.916720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.916720 (E_RNA) where: Base-Base interactions energy: -190.472 where: short stacking energy: -125.176 Base-Backbone interact. energy: 0.218 local terms energy: -244.662520 where: bonds (distance) C4'-P energy: -63.170 bonds (distance) P-C4' energy: -77.781 flat angles C4'-P-C4' energy: -59.476 flat angles P-C4'-P energy: -33.019 tors. eta vs tors. theta energy: -11.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -307.018111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.018111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.018111 (E_RNA) where: Base-Base interactions energy: -123.783 where: short stacking energy: -107.753 Base-Backbone interact. energy: 2.809 local terms energy: -186.044301 where: bonds (distance) C4'-P energy: -57.641 bonds (distance) P-C4' energy: -69.742 flat angles C4'-P-C4' energy: -34.713 flat angles P-C4'-P energy: -30.211 tors. eta vs tors. theta energy: 6.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1365.366772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.366772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.366772 (E_RNA) where: Base-Base interactions energy: -949.077 where: short stacking energy: -411.140 Base-Backbone interact. energy: -1.002 local terms energy: -415.287413 where: bonds (distance) C4'-P energy: -76.536 bonds (distance) P-C4' energy: -78.291 flat angles C4'-P-C4' energy: -88.675 flat angles P-C4'-P energy: -52.964 tors. eta vs tors. theta energy: -118.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1354.555363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.555363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.555363 (E_RNA) where: Base-Base interactions energy: -944.619 where: short stacking energy: -399.526 Base-Backbone interact. energy: 0.868 local terms energy: -410.804458 where: bonds (distance) C4'-P energy: -72.823 bonds (distance) P-C4' energy: -74.848 flat angles C4'-P-C4' energy: -86.032 flat angles P-C4'-P energy: -66.486 tors. eta vs tors. theta energy: -110.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1295.146210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.146210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.146210 (E_RNA) where: Base-Base interactions energy: -901.487 where: short stacking energy: -390.154 Base-Backbone interact. energy: 1.064 local terms energy: -394.723454 where: bonds (distance) C4'-P energy: -75.302 bonds (distance) P-C4' energy: -76.345 flat angles C4'-P-C4' energy: -86.640 flat angles P-C4'-P energy: -46.483 tors. eta vs tors. theta energy: -109.953 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: 2 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1237.875881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.875881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.875881 (E_RNA) where: Base-Base interactions energy: -835.619 where: short stacking energy: -369.997 Base-Backbone interact. energy: -1.704 local terms energy: -400.552949 where: bonds (distance) C4'-P energy: -74.220 bonds (distance) P-C4' energy: -81.319 flat angles C4'-P-C4' energy: -76.307 flat angles P-C4'-P energy: -55.142 tors. eta vs tors. theta energy: -113.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1165.145680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.145680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.145680 (E_RNA) where: Base-Base interactions energy: -806.370 where: short stacking energy: -363.460 Base-Backbone interact. energy: -1.472 local terms energy: -357.303542 where: bonds (distance) C4'-P energy: -64.783 bonds (distance) P-C4' energy: -67.502 flat angles C4'-P-C4' energy: -68.201 flat angles P-C4'-P energy: -45.315 tors. eta vs tors. theta energy: -111.503 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: 9 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1095.812410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.812410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.812410 (E_RNA) where: Base-Base interactions energy: -737.060 where: short stacking energy: -315.672 Base-Backbone interact. energy: -2.635 local terms energy: -356.116578 where: bonds (distance) C4'-P energy: -71.537 bonds (distance) P-C4' energy: -71.285 flat angles C4'-P-C4' energy: -74.919 flat angles P-C4'-P energy: -49.376 tors. eta vs tors. theta energy: -88.999 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: 7 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1126.578770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.578770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.578770 (E_RNA) where: Base-Base interactions energy: -739.520 where: short stacking energy: -337.736 Base-Backbone interact. energy: 0.640 local terms energy: -387.698501 where: bonds (distance) C4'-P energy: -73.968 bonds (distance) P-C4' energy: -75.911 flat angles C4'-P-C4' energy: -76.968 flat angles P-C4'-P energy: -53.669 tors. eta vs tors. theta energy: -107.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -802.973458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.973458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.973458 (E_RNA) where: Base-Base interactions energy: -493.949 where: short stacking energy: -248.499 Base-Backbone interact. energy: 0.167 local terms energy: -309.191018 where: bonds (distance) C4'-P energy: -70.425 bonds (distance) P-C4' energy: -67.707 flat angles C4'-P-C4' energy: -69.660 flat angles P-C4'-P energy: -40.954 tors. eta vs tors. theta energy: -60.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -532.431061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.431061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.431061 (E_RNA) where: Base-Base interactions energy: -285.819 where: short stacking energy: -158.664 Base-Backbone interact. energy: 0.707 local terms energy: -247.318547 where: bonds (distance) C4'-P energy: -55.695 bonds (distance) P-C4' energy: -69.056 flat angles C4'-P-C4' energy: -68.995 flat angles P-C4'-P energy: -35.117 tors. eta vs tors. theta energy: -18.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -332.008536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.008536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.008536 (E_RNA) where: Base-Base interactions energy: -134.919 where: short stacking energy: -101.978 Base-Backbone interact. energy: -3.278 local terms energy: -193.812173 where: bonds (distance) C4'-P energy: -70.842 bonds (distance) P-C4' energy: -64.598 flat angles C4'-P-C4' energy: -38.869 flat angles P-C4'-P energy: -29.820 tors. eta vs tors. theta energy: 10.318 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: 6 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1381.227811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.227811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.227811 (E_RNA) where: Base-Base interactions energy: -945.772 where: short stacking energy: -413.446 Base-Backbone interact. energy: -0.450 local terms energy: -435.006611 where: bonds (distance) C4'-P energy: -84.815 bonds (distance) P-C4' energy: -74.933 flat angles C4'-P-C4' energy: -87.105 flat angles P-C4'-P energy: -63.398 tors. eta vs tors. theta energy: -124.755 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: 3 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1297.385437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.385437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.385437 (E_RNA) where: Base-Base interactions energy: -903.119 where: short stacking energy: -388.969 Base-Backbone interact. energy: -0.926 local terms energy: -393.340429 where: bonds (distance) C4'-P energy: -68.025 bonds (distance) P-C4' energy: -84.320 flat angles C4'-P-C4' energy: -85.268 flat angles P-C4'-P energy: -51.164 tors. eta vs tors. theta energy: -104.564 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: 4 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1311.783406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.783406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.783406 (E_RNA) where: Base-Base interactions energy: -907.090 where: short stacking energy: -368.689 Base-Backbone interact. energy: -1.246 local terms energy: -403.446903 where: bonds (distance) C4'-P energy: -67.083 bonds (distance) P-C4' energy: -85.086 flat angles C4'-P-C4' energy: -79.348 flat angles P-C4'-P energy: -58.480 tors. eta vs tors. theta energy: -113.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1224.582331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.582331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.582331 (E_RNA) where: Base-Base interactions energy: -824.776 where: short stacking energy: -359.757 Base-Backbone interact. energy: -0.778 local terms energy: -399.027623 where: bonds (distance) C4'-P energy: -59.130 bonds (distance) P-C4' energy: -82.566 flat angles C4'-P-C4' energy: -94.273 flat angles P-C4'-P energy: -63.364 tors. eta vs tors. theta energy: -99.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1215.986139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.986139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.986139 (E_RNA) where: Base-Base interactions energy: -844.266 where: short stacking energy: -375.098 Base-Backbone interact. energy: 1.989 local terms energy: -373.708720 where: bonds (distance) C4'-P energy: -69.776 bonds (distance) P-C4' energy: -63.981 flat angles C4'-P-C4' energy: -80.364 flat angles P-C4'-P energy: -52.195 tors. eta vs tors. theta energy: -107.392 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: 9 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1104.173829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.173829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.173829 (E_RNA) where: Base-Base interactions energy: -748.352 where: short stacking energy: -336.694 Base-Backbone interact. energy: -1.059 local terms energy: -354.763237 where: bonds (distance) C4'-P energy: -64.523 bonds (distance) P-C4' energy: -70.385 flat angles C4'-P-C4' energy: -80.044 flat angles P-C4'-P energy: -46.383 tors. eta vs tors. theta energy: -93.428 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: 7, replica: 7 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1096.753936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.753936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.753936 (E_RNA) where: Base-Base interactions energy: -720.906 where: short stacking energy: -337.305 Base-Backbone interact. energy: -1.432 local terms energy: -374.416697 where: bonds (distance) C4'-P energy: -70.932 bonds (distance) P-C4' energy: -65.659 flat angles C4'-P-C4' energy: -80.960 flat angles P-C4'-P energy: -56.391 tors. eta vs tors. theta energy: -100.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -776.924194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.924194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.924194 (E_RNA) where: Base-Base interactions energy: -507.265 where: short stacking energy: -226.402 Base-Backbone interact. energy: 2.065 local terms energy: -271.723576 where: bonds (distance) C4'-P energy: -61.754 bonds (distance) P-C4' energy: -49.214 flat angles C4'-P-C4' energy: -63.610 flat angles P-C4'-P energy: -52.502 tors. eta vs tors. theta energy: -44.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -463.644672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.644672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.644672 (E_RNA) where: Base-Base interactions energy: -245.617 where: short stacking energy: -132.381 Base-Backbone interact. energy: -0.603 local terms energy: -217.424731 where: bonds (distance) C4'-P energy: -65.982 bonds (distance) P-C4' energy: -74.615 flat angles C4'-P-C4' energy: -54.080 flat angles P-C4'-P energy: -18.872 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -338.790610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.790610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.790610 (E_RNA) where: Base-Base interactions energy: -121.239 where: short stacking energy: -77.396 Base-Backbone interact. energy: 1.543 local terms energy: -219.094503 where: bonds (distance) C4'-P energy: -60.908 bonds (distance) P-C4' energy: -71.861 flat angles C4'-P-C4' energy: -49.476 flat angles P-C4'-P energy: -43.049 tors. eta vs tors. theta energy: 6.198 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: 6 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1376.041556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.041556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.041556 (E_RNA) where: Base-Base interactions energy: -949.797 where: short stacking energy: -416.174 Base-Backbone interact. energy: -2.244 local terms energy: -424.001052 where: bonds (distance) C4'-P energy: -73.410 bonds (distance) P-C4' energy: -85.057 flat angles C4'-P-C4' energy: -90.183 flat angles P-C4'-P energy: -53.446 tors. eta vs tors. theta energy: -121.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1325.449017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.449017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.449017 (E_RNA) where: Base-Base interactions energy: -929.639 where: short stacking energy: -401.495 Base-Backbone interact. energy: -0.604 local terms energy: -395.205500 where: bonds (distance) C4'-P energy: -68.445 bonds (distance) P-C4' energy: -77.879 flat angles C4'-P-C4' energy: -82.259 flat angles P-C4'-P energy: -56.419 tors. eta vs tors. theta energy: -110.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1341.841540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.841540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.841540 (E_RNA) where: Base-Base interactions energy: -940.961 where: short stacking energy: -391.052 Base-Backbone interact. energy: -1.291 local terms energy: -399.590235 where: bonds (distance) C4'-P energy: -82.226 bonds (distance) P-C4' energy: -66.325 flat angles C4'-P-C4' energy: -84.792 flat angles P-C4'-P energy: -55.584 tors. eta vs tors. theta energy: -110.663 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: 10 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1209.262156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.262156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.262156 (E_RNA) where: Base-Base interactions energy: -824.878 where: short stacking energy: -343.862 Base-Backbone interact. energy: -0.550 local terms energy: -383.834437 where: bonds (distance) C4'-P energy: -74.694 bonds (distance) P-C4' energy: -72.300 flat angles C4'-P-C4' energy: -85.814 flat angles P-C4'-P energy: -50.350 tors. eta vs tors. theta energy: -100.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1177.086539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.086539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.086539 (E_RNA) where: Base-Base interactions energy: -798.288 where: short stacking energy: -335.308 Base-Backbone interact. energy: -1.310 local terms energy: -377.487968 where: bonds (distance) C4'-P energy: -66.171 bonds (distance) P-C4' energy: -70.196 flat angles C4'-P-C4' energy: -89.038 flat angles P-C4'-P energy: -49.402 tors. eta vs tors. theta energy: -102.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1100.049349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.049349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.049349 (E_RNA) where: Base-Base interactions energy: -756.096 where: short stacking energy: -323.036 Base-Backbone interact. energy: -0.308 local terms energy: -343.645413 where: bonds (distance) C4'-P energy: -76.520 bonds (distance) P-C4' energy: -69.851 flat angles C4'-P-C4' energy: -70.037 flat angles P-C4'-P energy: -46.722 tors. eta vs tors. theta energy: -80.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1034.307929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.307929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.307929 (E_RNA) where: Base-Base interactions energy: -696.868 where: short stacking energy: -325.108 Base-Backbone interact. energy: 0.351 local terms energy: -337.790890 where: bonds (distance) C4'-P energy: -58.201 bonds (distance) P-C4' energy: -73.076 flat angles C4'-P-C4' energy: -67.603 flat angles P-C4'-P energy: -42.812 tors. eta vs tors. theta energy: -96.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -771.417703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.417703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.417703 (E_RNA) where: Base-Base interactions energy: -468.379 where: short stacking energy: -221.929 Base-Backbone interact. energy: -0.566 local terms energy: -302.472662 where: bonds (distance) C4'-P energy: -63.678 bonds (distance) P-C4' energy: -77.688 flat angles C4'-P-C4' energy: -69.610 flat angles P-C4'-P energy: -44.959 tors. eta vs tors. theta energy: -46.537 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: 8 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -429.857474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.857474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.857474 (E_RNA) where: Base-Base interactions energy: -190.518 where: short stacking energy: -128.595 Base-Backbone interact. energy: -2.918 local terms energy: -236.420592 where: bonds (distance) C4'-P energy: -66.816 bonds (distance) P-C4' energy: -64.707 flat angles C4'-P-C4' energy: -59.718 flat angles P-C4'-P energy: -39.721 tors. eta vs tors. theta energy: -5.459 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: 1 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -308.337773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.337773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.337773 (E_RNA) where: Base-Base interactions energy: -115.019 where: short stacking energy: -90.874 Base-Backbone interact. energy: -0.014 local terms energy: -193.304590 where: bonds (distance) C4'-P energy: -62.247 bonds (distance) P-C4' energy: -68.876 flat angles C4'-P-C4' energy: -37.885 flat angles P-C4'-P energy: -28.442 tors. eta vs tors. theta energy: 4.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1397.351498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.351498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.351498 (E_RNA) where: Base-Base interactions energy: -951.170 where: short stacking energy: -421.550 Base-Backbone interact. energy: -1.325 local terms energy: -444.856022 where: bonds (distance) C4'-P energy: -81.257 bonds (distance) P-C4' energy: -83.840 flat angles C4'-P-C4' energy: -91.826 flat angles P-C4'-P energy: -58.703 tors. eta vs tors. theta energy: -129.230 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: 4 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1348.153903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.153903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.153903 (E_RNA) where: Base-Base interactions energy: -924.662 where: short stacking energy: -392.227 Base-Backbone interact. energy: -2.709 local terms energy: -420.782237 where: bonds (distance) C4'-P energy: -77.156 bonds (distance) P-C4' energy: -76.559 flat angles C4'-P-C4' energy: -95.698 flat angles P-C4'-P energy: -55.696 tors. eta vs tors. theta energy: -115.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1303.856902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.856902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.856902 (E_RNA) where: Base-Base interactions energy: -894.811 where: short stacking energy: -400.633 Base-Backbone interact. energy: -1.731 local terms energy: -407.314644 where: bonds (distance) C4'-P energy: -80.063 bonds (distance) P-C4' energy: -69.606 flat angles C4'-P-C4' energy: -90.555 flat angles P-C4'-P energy: -52.274 tors. eta vs tors. theta energy: -114.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1209.223365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.223365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.223365 (E_RNA) where: Base-Base interactions energy: -836.779 where: short stacking energy: -357.449 Base-Backbone interact. energy: -0.670 local terms energy: -371.774103 where: bonds (distance) C4'-P energy: -73.785 bonds (distance) P-C4' energy: -82.394 flat angles C4'-P-C4' energy: -79.627 flat angles P-C4'-P energy: -47.424 tors. eta vs tors. theta energy: -88.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1179.124241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.124241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.124241 (E_RNA) where: Base-Base interactions energy: -805.395 where: short stacking energy: -357.173 Base-Backbone interact. energy: -1.373 local terms energy: -372.356192 where: bonds (distance) C4'-P energy: -63.623 bonds (distance) P-C4' energy: -81.192 flat angles C4'-P-C4' energy: -79.359 flat angles P-C4'-P energy: -43.854 tors. eta vs tors. theta energy: -104.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1117.554064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.554064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.554064 (E_RNA) where: Base-Base interactions energy: -754.751 where: short stacking energy: -330.966 Base-Backbone interact. energy: -1.631 local terms energy: -361.172128 where: bonds (distance) C4'-P energy: -72.563 bonds (distance) P-C4' energy: -73.776 flat angles C4'-P-C4' energy: -73.643 flat angles P-C4'-P energy: -45.329 tors. eta vs tors. theta energy: -95.862 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: 7 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1043.430149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.430149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.430149 (E_RNA) where: Base-Base interactions energy: -697.278 where: short stacking energy: -313.482 Base-Backbone interact. energy: 1.121 local terms energy: -347.272451 where: bonds (distance) C4'-P energy: -65.326 bonds (distance) P-C4' energy: -51.961 flat angles C4'-P-C4' energy: -80.761 flat angles P-C4'-P energy: -56.610 tors. eta vs tors. theta energy: -92.616 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: 5 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -769.897652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.897652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.897652 (E_RNA) where: Base-Base interactions energy: -468.900 where: short stacking energy: -241.534 Base-Backbone interact. energy: -1.136 local terms energy: -299.860896 where: bonds (distance) C4'-P energy: -67.349 bonds (distance) P-C4' energy: -64.834 flat angles C4'-P-C4' energy: -61.848 flat angles P-C4'-P energy: -46.563 tors. eta vs tors. theta energy: -59.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -432.240533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.240533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.240533 (E_RNA) where: Base-Base interactions energy: -203.212 where: short stacking energy: -122.715 Base-Backbone interact. energy: 0.539 local terms energy: -229.567609 where: bonds (distance) C4'-P energy: -51.419 bonds (distance) P-C4' energy: -68.573 flat angles C4'-P-C4' energy: -58.604 flat angles P-C4'-P energy: -42.821 tors. eta vs tors. theta energy: -8.151 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: 10, replica: 1 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -315.039641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.039641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.039641 (E_RNA) where: Base-Base interactions energy: -126.988 where: short stacking energy: -116.463 Base-Backbone interact. energy: 2.131 local terms energy: -190.182420 where: bonds (distance) C4'-P energy: -48.790 bonds (distance) P-C4' energy: -70.781 flat angles C4'-P-C4' energy: -50.710 flat angles P-C4'-P energy: -26.343 tors. eta vs tors. theta energy: 6.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1406.312693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.312693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.312693 (E_RNA) where: Base-Base interactions energy: -965.836 where: short stacking energy: -412.808 Base-Backbone interact. energy: -2.682 local terms energy: -437.795177 where: bonds (distance) C4'-P energy: -83.495 bonds (distance) P-C4' energy: -76.038 flat angles C4'-P-C4' energy: -90.737 flat angles P-C4'-P energy: -60.542 tors. eta vs tors. theta energy: -126.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1339.714168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.714168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.714168 (E_RNA) where: Base-Base interactions energy: -939.390 where: short stacking energy: -401.141 Base-Backbone interact. energy: -0.211 local terms energy: -400.112733 where: bonds (distance) C4'-P energy: -73.684 bonds (distance) P-C4' energy: -76.970 flat angles C4'-P-C4' energy: -83.305 flat angles P-C4'-P energy: -51.277 tors. eta vs tors. theta energy: -114.877 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: 370 Temperature: 1.000000 Total energy: -1311.767896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.767896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.767896 (E_RNA) where: Base-Base interactions energy: -896.173 where: short stacking energy: -385.163 Base-Backbone interact. energy: -0.303 local terms energy: -415.292443 where: bonds (distance) C4'-P energy: -76.287 bonds (distance) P-C4' energy: -72.646 flat angles C4'-P-C4' energy: -92.052 flat angles P-C4'-P energy: -65.919 tors. eta vs tors. theta energy: -108.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1189.437519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.437519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.437519 (E_RNA) where: Base-Base interactions energy: -823.089 where: short stacking energy: -347.495 Base-Backbone interact. energy: -0.892 local terms energy: -365.455887 where: bonds (distance) C4'-P energy: -78.418 bonds (distance) P-C4' energy: -65.183 flat angles C4'-P-C4' energy: -80.798 flat angles P-C4'-P energy: -49.953 tors. eta vs tors. theta energy: -91.103 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: 5, replica: 2 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1205.524209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.524209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.524209 (E_RNA) where: Base-Base interactions energy: -828.818 where: short stacking energy: -350.417 Base-Backbone interact. energy: -0.612 local terms energy: -376.093353 where: bonds (distance) C4'-P energy: -78.078 bonds (distance) P-C4' energy: -70.320 flat angles C4'-P-C4' energy: -75.792 flat angles P-C4'-P energy: -58.045 tors. eta vs tors. theta energy: -93.859 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: 9 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1107.215113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.215113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.215113 (E_RNA) where: Base-Base interactions energy: -744.377 where: short stacking energy: -331.060 Base-Backbone interact. energy: -0.546 local terms energy: -362.291515 where: bonds (distance) C4'-P energy: -68.257 bonds (distance) P-C4' energy: -81.672 flat angles C4'-P-C4' energy: -75.546 flat angles P-C4'-P energy: -41.406 tors. eta vs tors. theta energy: -95.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1014.395427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.395427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.395427 (E_RNA) where: Base-Base interactions energy: -685.214 where: short stacking energy: -318.338 Base-Backbone interact. energy: 0.266 local terms energy: -329.447413 where: bonds (distance) C4'-P energy: -64.947 bonds (distance) P-C4' energy: -62.498 flat angles C4'-P-C4' energy: -77.240 flat angles P-C4'-P energy: -38.609 tors. eta vs tors. theta energy: -86.153 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: 5 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -742.942087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.942087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.942087 (E_RNA) where: Base-Base interactions energy: -465.994 where: short stacking energy: -240.894 Base-Backbone interact. energy: 2.107 local terms energy: -279.055089 where: bonds (distance) C4'-P energy: -59.146 bonds (distance) P-C4' energy: -71.870 flat angles C4'-P-C4' energy: -56.924 flat angles P-C4'-P energy: -45.226 tors. eta vs tors. theta energy: -45.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -462.239732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.239732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.239732 (E_RNA) where: Base-Base interactions energy: -213.045 where: short stacking energy: -128.806 Base-Backbone interact. energy: -0.778 local terms energy: -248.416463 where: bonds (distance) C4'-P energy: -66.953 bonds (distance) P-C4' energy: -59.707 flat angles C4'-P-C4' energy: -67.838 flat angles P-C4'-P energy: -43.573 tors. eta vs tors. theta energy: -10.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -340.271090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.271090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.271090 (E_RNA) where: Base-Base interactions energy: -131.194 where: short stacking energy: -100.424 Base-Backbone interact. energy: -1.519 local terms energy: -207.557682 where: bonds (distance) C4'-P energy: -59.496 bonds (distance) P-C4' energy: -62.734 flat angles C4'-P-C4' energy: -51.541 flat angles P-C4'-P energy: -46.233 tors. eta vs tors. theta energy: 12.446 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: 371 Temperature: 0.900000 Total energy: -1424.303996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.303996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.303996 (E_RNA) where: Base-Base interactions energy: -992.989 where: short stacking energy: -438.706 Base-Backbone interact. energy: -1.896 local terms energy: -429.418141 where: bonds (distance) C4'-P energy: -64.448 bonds (distance) P-C4' energy: -83.322 flat angles C4'-P-C4' energy: -96.326 flat angles P-C4'-P energy: -58.039 tors. eta vs tors. theta energy: -127.284 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: 371 Temperature: 0.950000 Total energy: -1346.868371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.868371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.868371 (E_RNA) where: Base-Base interactions energy: -911.766 where: short stacking energy: -389.587 Base-Backbone interact. energy: -2.110 local terms energy: -432.992179 where: bonds (distance) C4'-P energy: -84.032 bonds (distance) P-C4' energy: -85.228 flat angles C4'-P-C4' energy: -89.470 flat angles P-C4'-P energy: -53.919 tors. eta vs tors. theta energy: -120.343 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: 3, replica: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1307.416667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.416667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.416667 (E_RNA) where: Base-Base interactions energy: -901.834 where: short stacking energy: -385.965 Base-Backbone interact. energy: -2.242 local terms energy: -403.341124 where: bonds (distance) C4'-P energy: -68.460 bonds (distance) P-C4' energy: -78.643 flat angles C4'-P-C4' energy: -87.316 flat angles P-C4'-P energy: -59.092 tors. eta vs tors. theta energy: -109.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1227.662266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.662266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.662266 (E_RNA) where: Base-Base interactions energy: -850.876 where: short stacking energy: -368.405 Base-Backbone interact. energy: -1.438 local terms energy: -375.348372 where: bonds (distance) C4'-P energy: -59.825 bonds (distance) P-C4' energy: -63.848 flat angles C4'-P-C4' energy: -78.557 flat angles P-C4'-P energy: -58.707 tors. eta vs tors. theta energy: -114.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1162.863043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.863043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.863043 (E_RNA) where: Base-Base interactions energy: -801.967 where: short stacking energy: -336.964 Base-Backbone interact. energy: -1.423 local terms energy: -359.472920 where: bonds (distance) C4'-P energy: -61.558 bonds (distance) P-C4' energy: -71.202 flat angles C4'-P-C4' energy: -78.168 flat angles P-C4'-P energy: -55.984 tors. eta vs tors. theta energy: -92.561 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: 9 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1092.718669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.718669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.718669 (E_RNA) where: Base-Base interactions energy: -738.808 where: short stacking energy: -321.859 Base-Backbone interact. energy: -0.851 local terms energy: -353.060057 where: bonds (distance) C4'-P energy: -71.443 bonds (distance) P-C4' energy: -70.249 flat angles C4'-P-C4' energy: -56.303 flat angles P-C4'-P energy: -57.280 tors. eta vs tors. theta energy: -97.785 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: 371 Temperature: 1.200000 Total energy: -1051.997495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.997495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.997495 (E_RNA) where: Base-Base interactions energy: -673.427 where: short stacking energy: -292.751 Base-Backbone interact. energy: -0.334 local terms energy: -378.236928 where: bonds (distance) C4'-P energy: -77.084 bonds (distance) P-C4' energy: -67.742 flat angles C4'-P-C4' energy: -83.842 flat angles P-C4'-P energy: -54.412 tors. eta vs tors. theta energy: -95.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -755.800275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.800275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.800275 (E_RNA) where: Base-Base interactions energy: -504.447 where: short stacking energy: -234.162 Base-Backbone interact. energy: -1.891 local terms energy: -249.462527 where: bonds (distance) C4'-P energy: -44.904 bonds (distance) P-C4' energy: -69.232 flat angles C4'-P-C4' energy: -58.453 flat angles P-C4'-P energy: -31.074 tors. eta vs tors. theta energy: -45.798 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: 8 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -455.020550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.020550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.020550 (E_RNA) where: Base-Base interactions energy: -209.273 where: short stacking energy: -130.136 Base-Backbone interact. energy: 3.237 local terms energy: -248.984701 where: bonds (distance) C4'-P energy: -64.049 bonds (distance) P-C4' energy: -65.210 flat angles C4'-P-C4' energy: -71.766 flat angles P-C4'-P energy: -37.209 tors. eta vs tors. theta energy: -10.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -351.916528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.916528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.916528 (E_RNA) where: Base-Base interactions energy: -138.035 where: short stacking energy: -88.395 Base-Backbone interact. energy: 0.622 local terms energy: -214.504270 where: bonds (distance) C4'-P energy: -69.313 bonds (distance) P-C4' energy: -69.191 flat angles C4'-P-C4' energy: -59.435 flat angles P-C4'-P energy: -38.340 tors. eta vs tors. theta energy: 21.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1401.396617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.396617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.396617 (E_RNA) where: Base-Base interactions energy: -970.085 where: short stacking energy: -431.548 Base-Backbone interact. energy: -0.546 local terms energy: -430.765490 where: bonds (distance) C4'-P energy: -67.209 bonds (distance) P-C4' energy: -84.198 flat angles C4'-P-C4' energy: -92.524 flat angles P-C4'-P energy: -57.872 tors. eta vs tors. theta energy: -128.962 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: 2, replica: 4 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1344.606445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.606445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.606445 (E_RNA) where: Base-Base interactions energy: -939.109 where: short stacking energy: -393.978 Base-Backbone interact. energy: -0.797 local terms energy: -404.700190 where: bonds (distance) C4'-P energy: -71.053 bonds (distance) P-C4' energy: -61.834 flat angles C4'-P-C4' energy: -93.619 flat angles P-C4'-P energy: -61.683 tors. eta vs tors. theta energy: -116.512 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: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1285.006995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.006995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.006995 (E_RNA) where: Base-Base interactions energy: -915.132 where: short stacking energy: -385.900 Base-Backbone interact. energy: -1.113 local terms energy: -368.761835 where: bonds (distance) C4'-P energy: -64.302 bonds (distance) P-C4' energy: -53.694 flat angles C4'-P-C4' energy: -84.470 flat angles P-C4'-P energy: -57.502 tors. eta vs tors. theta energy: -108.795 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: 4, replica: 2 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1215.579104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.579104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.579104 (E_RNA) where: Base-Base interactions energy: -839.648 where: short stacking energy: -357.665 Base-Backbone interact. energy: -0.192 local terms energy: -375.739098 where: bonds (distance) C4'-P energy: -73.768 bonds (distance) P-C4' energy: -74.767 flat angles C4'-P-C4' energy: -77.965 flat angles P-C4'-P energy: -47.655 tors. eta vs tors. theta energy: -101.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1174.825181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.825181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.825181 (E_RNA) where: Base-Base interactions energy: -802.282 where: short stacking energy: -348.215 Base-Backbone interact. energy: -0.957 local terms energy: -371.586221 where: bonds (distance) C4'-P energy: -84.261 bonds (distance) P-C4' energy: -70.033 flat angles C4'-P-C4' energy: -82.206 flat angles P-C4'-P energy: -41.077 tors. eta vs tors. theta energy: -94.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1075.707701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.707701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.707701 (E_RNA) where: Base-Base interactions energy: -734.547 where: short stacking energy: -319.374 Base-Backbone interact. energy: 2.041 local terms energy: -343.201618 where: bonds (distance) C4'-P energy: -62.212 bonds (distance) P-C4' energy: -65.650 flat angles C4'-P-C4' energy: -79.932 flat angles P-C4'-P energy: -51.662 tors. eta vs tors. theta energy: -83.745 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: 7 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1021.863991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.863991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.863991 (E_RNA) where: Base-Base interactions energy: -699.618 where: short stacking energy: -299.574 Base-Backbone interact. energy: -0.059 local terms energy: -322.187213 where: bonds (distance) C4'-P energy: -69.786 bonds (distance) P-C4' energy: -60.429 flat angles C4'-P-C4' energy: -66.121 flat angles P-C4'-P energy: -40.089 tors. eta vs tors. theta energy: -85.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -770.991798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.991798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.991798 (E_RNA) where: Base-Base interactions energy: -491.314 where: short stacking energy: -208.591 Base-Backbone interact. energy: -0.542 local terms energy: -279.136292 where: bonds (distance) C4'-P energy: -58.270 bonds (distance) P-C4' energy: -66.922 flat angles C4'-P-C4' energy: -65.938 flat angles P-C4'-P energy: -47.538 tors. eta vs tors. theta energy: -40.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -360.727839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.727839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.727839 (E_RNA) where: Base-Base interactions energy: -120.498 where: short stacking energy: -93.501 Base-Backbone interact. energy: -0.546 local terms energy: -239.684161 where: bonds (distance) C4'-P energy: -68.578 bonds (distance) P-C4' energy: -67.167 flat angles C4'-P-C4' energy: -63.263 flat angles P-C4'-P energy: -36.760 tors. eta vs tors. theta energy: -3.916 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: 8 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -397.609522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.609522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.609522 (E_RNA) where: Base-Base interactions energy: -181.794 where: short stacking energy: -95.877 Base-Backbone interact. energy: -1.855 local terms energy: -213.960544 where: bonds (distance) C4'-P energy: -57.173 bonds (distance) P-C4' energy: -73.378 flat angles C4'-P-C4' energy: -59.567 flat angles P-C4'-P energy: -25.212 tors. eta vs tors. theta energy: 1.369 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: 1, replica: 6 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1391.625187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.625187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.625187 (E_RNA) where: Base-Base interactions energy: -959.985 where: short stacking energy: -431.909 Base-Backbone interact. energy: -1.828 local terms energy: -429.812967 where: bonds (distance) C4'-P energy: -70.600 bonds (distance) P-C4' energy: -80.467 flat angles C4'-P-C4' energy: -85.334 flat angles P-C4'-P energy: -67.636 tors. eta vs tors. theta energy: -125.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1314.679865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.679865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.679865 (E_RNA) where: Base-Base interactions energy: -904.191 where: short stacking energy: -390.759 Base-Backbone interact. energy: -0.960 local terms energy: -409.528095 where: bonds (distance) C4'-P energy: -72.960 bonds (distance) P-C4' energy: -72.516 flat angles C4'-P-C4' energy: -89.464 flat angles P-C4'-P energy: -64.013 tors. eta vs tors. theta energy: -110.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1293.593334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.593334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.593334 (E_RNA) where: Base-Base interactions energy: -885.495 where: short stacking energy: -376.850 Base-Backbone interact. energy: 3.479 local terms energy: -411.577108 where: bonds (distance) C4'-P energy: -74.482 bonds (distance) P-C4' energy: -77.387 flat angles C4'-P-C4' energy: -84.253 flat angles P-C4'-P energy: -63.591 tors. eta vs tors. theta energy: -111.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1207.993810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.993810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.993810 (E_RNA) where: Base-Base interactions energy: -832.306 where: short stacking energy: -358.069 Base-Backbone interact. energy: 0.296 local terms energy: -375.983972 where: bonds (distance) C4'-P energy: -71.831 bonds (distance) P-C4' energy: -52.450 flat angles C4'-P-C4' energy: -85.741 flat angles P-C4'-P energy: -61.370 tors. eta vs tors. theta energy: -104.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1170.718312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.718312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.718312 (E_RNA) where: Base-Base interactions energy: -787.304 where: short stacking energy: -341.368 Base-Backbone interact. energy: -1.823 local terms energy: -381.591435 where: bonds (distance) C4'-P energy: -78.275 bonds (distance) P-C4' energy: -73.785 flat angles C4'-P-C4' energy: -87.637 flat angles P-C4'-P energy: -46.791 tors. eta vs tors. theta energy: -95.105 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: 373 Temperature: 1.150000 Total energy: -1057.371926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.371926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.371926 (E_RNA) where: Base-Base interactions energy: -712.836 where: short stacking energy: -305.279 Base-Backbone interact. energy: -1.423 local terms energy: -343.112762 where: bonds (distance) C4'-P energy: -69.978 bonds (distance) P-C4' energy: -69.809 flat angles C4'-P-C4' energy: -74.940 flat angles P-C4'-P energy: -52.107 tors. eta vs tors. theta energy: -76.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1023.240441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.240441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.240441 (E_RNA) where: Base-Base interactions energy: -708.985 where: short stacking energy: -331.192 Base-Backbone interact. energy: -1.709 local terms energy: -312.546302 where: bonds (distance) C4'-P energy: -33.903 bonds (distance) P-C4' energy: -67.916 flat angles C4'-P-C4' energy: -74.750 flat angles P-C4'-P energy: -51.878 tors. eta vs tors. theta energy: -84.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -723.240258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.240258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.240258 (E_RNA) where: Base-Base interactions energy: -447.618 where: short stacking energy: -206.698 Base-Backbone interact. energy: -2.090 local terms energy: -273.531877 where: bonds (distance) C4'-P energy: -57.331 bonds (distance) P-C4' energy: -66.682 flat angles C4'-P-C4' energy: -62.533 flat angles P-C4'-P energy: -48.899 tors. eta vs tors. theta energy: -38.088 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: 9, replica: 1 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -341.090227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.090227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.090227 (E_RNA) where: Base-Base interactions energy: -124.995 where: short stacking energy: -100.691 Base-Backbone interact. energy: -1.074 local terms energy: -215.021422 where: bonds (distance) C4'-P energy: -68.965 bonds (distance) P-C4' energy: -61.546 flat angles C4'-P-C4' energy: -57.906 flat angles P-C4'-P energy: -35.468 tors. eta vs tors. theta energy: 8.864 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: 8 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -413.547446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.547446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.547446 (E_RNA) where: Base-Base interactions energy: -174.156 where: short stacking energy: -116.319 Base-Backbone interact. energy: 0.001 local terms energy: -239.391722 where: bonds (distance) C4'-P energy: -61.218 bonds (distance) P-C4' energy: -64.152 flat angles C4'-P-C4' energy: -63.702 flat angles P-C4'-P energy: -41.846 tors. eta vs tors. theta energy: -8.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1384.915445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.915445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.915445 (E_RNA) where: Base-Base interactions energy: -976.519 where: short stacking energy: -426.503 Base-Backbone interact. energy: 2.014 local terms energy: -410.411002 where: bonds (distance) C4'-P energy: -77.727 bonds (distance) P-C4' energy: -69.327 flat angles C4'-P-C4' energy: -83.305 flat angles P-C4'-P energy: -55.936 tors. eta vs tors. theta energy: -124.116 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: 374 Temperature: 0.950000 Total energy: -1320.036579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.036579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.036579 (E_RNA) where: Base-Base interactions energy: -919.074 where: short stacking energy: -395.321 Base-Backbone interact. energy: -0.599 local terms energy: -400.364104 where: bonds (distance) C4'-P energy: -72.576 bonds (distance) P-C4' energy: -74.035 flat angles C4'-P-C4' energy: -82.300 flat angles P-C4'-P energy: -67.040 tors. eta vs tors. theta energy: -104.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1312.478743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.478743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.478743 (E_RNA) where: Base-Base interactions energy: -921.790 where: short stacking energy: -405.327 Base-Backbone interact. energy: -1.865 local terms energy: -388.823563 where: bonds (distance) C4'-P energy: -66.488 bonds (distance) P-C4' energy: -67.199 flat angles C4'-P-C4' energy: -80.298 flat angles P-C4'-P energy: -67.705 tors. eta vs tors. theta energy: -107.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1220.026840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.026840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.026840 (E_RNA) where: Base-Base interactions energy: -836.793 where: short stacking energy: -354.595 Base-Backbone interact. energy: -1.128 local terms energy: -382.106161 where: bonds (distance) C4'-P energy: -64.441 bonds (distance) P-C4' energy: -75.995 flat angles C4'-P-C4' energy: -91.160 flat angles P-C4'-P energy: -48.521 tors. eta vs tors. theta energy: -101.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1162.790097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.790097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.790097 (E_RNA) where: Base-Base interactions energy: -789.921 where: short stacking energy: -348.858 Base-Backbone interact. energy: -1.159 local terms energy: -371.710521 where: bonds (distance) C4'-P energy: -56.561 bonds (distance) P-C4' energy: -78.791 flat angles C4'-P-C4' energy: -80.522 flat angles P-C4'-P energy: -54.899 tors. eta vs tors. theta energy: -100.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1058.946755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.946755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.946755 (E_RNA) where: Base-Base interactions energy: -709.250 where: short stacking energy: -319.811 Base-Backbone interact. energy: 0.903 local terms energy: -350.599716 where: bonds (distance) C4'-P energy: -69.970 bonds (distance) P-C4' energy: -76.004 flat angles C4'-P-C4' energy: -68.804 flat angles P-C4'-P energy: -45.613 tors. eta vs tors. theta energy: -90.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1050.275526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.275526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.275526 (E_RNA) where: Base-Base interactions energy: -698.021 where: short stacking energy: -300.693 Base-Backbone interact. energy: 0.575 local terms energy: -352.829898 where: bonds (distance) C4'-P energy: -54.006 bonds (distance) P-C4' energy: -69.716 flat angles C4'-P-C4' energy: -81.547 flat angles P-C4'-P energy: -49.790 tors. eta vs tors. theta energy: -97.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -774.345296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.345296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.345296 (E_RNA) where: Base-Base interactions energy: -484.139 where: short stacking energy: -214.154 Base-Backbone interact. energy: 1.720 local terms energy: -291.926248 where: bonds (distance) C4'-P energy: -67.157 bonds (distance) P-C4' energy: -60.297 flat angles C4'-P-C4' energy: -70.560 flat angles P-C4'-P energy: -57.219 tors. eta vs tors. theta energy: -36.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -422.398742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.398742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.398742 (E_RNA) where: Base-Base interactions energy: -180.678 where: short stacking energy: -116.544 Base-Backbone interact. energy: -1.285 local terms energy: -240.435668 where: bonds (distance) C4'-P energy: -58.039 bonds (distance) P-C4' energy: -75.734 flat angles C4'-P-C4' energy: -68.760 flat angles P-C4'-P energy: -26.088 tors. eta vs tors. theta energy: -11.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -348.768802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.768802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.768802 (E_RNA) where: Base-Base interactions energy: -128.489 where: short stacking energy: -102.583 Base-Backbone interact. energy: -1.205 local terms energy: -219.075157 where: bonds (distance) C4'-P energy: -73.039 bonds (distance) P-C4' energy: -75.364 flat angles C4'-P-C4' energy: -55.660 flat angles P-C4'-P energy: -22.601 tors. eta vs tors. theta energy: 7.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1397.419078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.419078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.419078 (E_RNA) where: Base-Base interactions energy: -975.100 where: short stacking energy: -418.630 Base-Backbone interact. energy: -0.882 local terms energy: -421.438045 where: bonds (distance) C4'-P energy: -79.310 bonds (distance) P-C4' energy: -78.991 flat angles C4'-P-C4' energy: -91.426 flat angles P-C4'-P energy: -49.522 tors. eta vs tors. theta energy: -122.190 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: 3 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1330.715074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.715074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.715074 (E_RNA) where: Base-Base interactions energy: -924.520 where: short stacking energy: -397.693 Base-Backbone interact. energy: -0.672 local terms energy: -405.522756 where: bonds (distance) C4'-P energy: -80.649 bonds (distance) P-C4' energy: -75.971 flat angles C4'-P-C4' energy: -82.623 flat angles P-C4'-P energy: -52.017 tors. eta vs tors. theta energy: -114.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1329.748710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.748710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.748710 (E_RNA) where: Base-Base interactions energy: -922.104 where: short stacking energy: -404.666 Base-Backbone interact. energy: -1.318 local terms energy: -406.326353 where: bonds (distance) C4'-P energy: -65.800 bonds (distance) P-C4' energy: -84.481 flat angles C4'-P-C4' energy: -85.220 flat angles P-C4'-P energy: -58.351 tors. eta vs tors. theta energy: -112.475 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: 2 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1245.170411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.170411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.170411 (E_RNA) where: Base-Base interactions energy: -848.987 where: short stacking energy: -348.778 Base-Backbone interact. energy: -1.135 local terms energy: -395.048672 where: bonds (distance) C4'-P energy: -74.340 bonds (distance) P-C4' energy: -72.054 flat angles C4'-P-C4' energy: -78.509 flat angles P-C4'-P energy: -52.441 tors. eta vs tors. theta energy: -117.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1193.711387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.711387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.711387 (E_RNA) where: Base-Base interactions energy: -823.243 where: short stacking energy: -370.720 Base-Backbone interact. energy: -1.512 local terms energy: -368.955842 where: bonds (distance) C4'-P energy: -68.129 bonds (distance) P-C4' energy: -65.174 flat angles C4'-P-C4' energy: -83.754 flat angles P-C4'-P energy: -49.263 tors. eta vs tors. theta energy: -102.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1095.599357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.599357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.599357 (E_RNA) where: Base-Base interactions energy: -747.788 where: short stacking energy: -332.000 Base-Backbone interact. energy: -0.271 local terms energy: -347.540315 where: bonds (distance) C4'-P energy: -62.256 bonds (distance) P-C4' energy: -69.860 flat angles C4'-P-C4' energy: -75.788 flat angles P-C4'-P energy: -43.335 tors. eta vs tors. theta energy: -96.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1021.353343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.353343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.353343 (E_RNA) where: Base-Base interactions energy: -681.889 where: short stacking energy: -314.464 Base-Backbone interact. energy: -2.003 local terms energy: -337.460755 where: bonds (distance) C4'-P energy: -64.157 bonds (distance) P-C4' energy: -69.313 flat angles C4'-P-C4' energy: -75.561 flat angles P-C4'-P energy: -46.268 tors. eta vs tors. theta energy: -82.161 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: 5 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -798.133788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.133788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.133788 (E_RNA) where: Base-Base interactions energy: -513.848 where: short stacking energy: -256.902 Base-Backbone interact. energy: -1.413 local terms energy: -282.873000 where: bonds (distance) C4'-P energy: -52.938 bonds (distance) P-C4' energy: -66.259 flat angles C4'-P-C4' energy: -64.009 flat angles P-C4'-P energy: -41.283 tors. eta vs tors. theta energy: -58.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -426.124123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.124123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.124123 (E_RNA) where: Base-Base interactions energy: -219.189 where: short stacking energy: -121.940 Base-Backbone interact. energy: -0.586 local terms energy: -206.349496 where: bonds (distance) C4'-P energy: -46.147 bonds (distance) P-C4' energy: -63.417 flat angles C4'-P-C4' energy: -61.377 flat angles P-C4'-P energy: -38.911 tors. eta vs tors. theta energy: 3.503 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: 10, replica: 1 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -357.467184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.467184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.467184 (E_RNA) where: Base-Base interactions energy: -128.064 where: short stacking energy: -84.007 Base-Backbone interact. energy: -1.168 local terms energy: -228.234896 where: bonds (distance) C4'-P energy: -71.211 bonds (distance) P-C4' energy: -76.821 flat angles C4'-P-C4' energy: -51.118 flat angles P-C4'-P energy: -29.393 tors. eta vs tors. theta energy: 0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1388.046953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.046953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.046953 (E_RNA) where: Base-Base interactions energy: -949.204 where: short stacking energy: -412.186 Base-Backbone interact. energy: -1.439 local terms energy: -437.403847 where: bonds (distance) C4'-P energy: -79.227 bonds (distance) P-C4' energy: -84.925 flat angles C4'-P-C4' energy: -90.656 flat angles P-C4'-P energy: -53.667 tors. eta vs tors. theta energy: -128.929 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: 3 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1341.090829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.090829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.090829 (E_RNA) where: Base-Base interactions energy: -927.543 where: short stacking energy: -410.064 Base-Backbone interact. energy: -1.803 local terms energy: -411.744682 where: bonds (distance) C4'-P energy: -71.377 bonds (distance) P-C4' energy: -82.083 flat angles C4'-P-C4' energy: -85.318 flat angles P-C4'-P energy: -59.634 tors. eta vs tors. theta energy: -113.333 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: 3, replica: 4 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1343.103603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.103603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.103603 (E_RNA) where: Base-Base interactions energy: -913.415 where: short stacking energy: -392.268 Base-Backbone interact. energy: -2.873 local terms energy: -426.815354 where: bonds (distance) C4'-P energy: -73.766 bonds (distance) P-C4' energy: -88.083 flat angles C4'-P-C4' energy: -95.977 flat angles P-C4'-P energy: -57.739 tors. eta vs tors. theta energy: -111.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1271.156136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.156136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.156136 (E_RNA) where: Base-Base interactions energy: -878.099 where: short stacking energy: -365.779 Base-Backbone interact. energy: 0.660 local terms energy: -393.716849 where: bonds (distance) C4'-P energy: -61.341 bonds (distance) P-C4' energy: -78.094 flat angles C4'-P-C4' energy: -91.235 flat angles P-C4'-P energy: -51.059 tors. eta vs tors. theta energy: -111.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1183.472723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.472723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.472723 (E_RNA) where: Base-Base interactions energy: -813.006 where: short stacking energy: -357.311 Base-Backbone interact. energy: -0.974 local terms energy: -369.492799 where: bonds (distance) C4'-P energy: -71.338 bonds (distance) P-C4' energy: -72.377 flat angles C4'-P-C4' energy: -74.781 flat angles P-C4'-P energy: -43.547 tors. eta vs tors. theta energy: -107.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1117.220183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.220183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.220183 (E_RNA) where: Base-Base interactions energy: -753.455 where: short stacking energy: -331.763 Base-Backbone interact. energy: 0.458 local terms energy: -364.223926 where: bonds (distance) C4'-P energy: -69.000 bonds (distance) P-C4' energy: -63.174 flat angles C4'-P-C4' energy: -83.935 flat angles P-C4'-P energy: -50.878 tors. eta vs tors. theta energy: -97.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1027.754577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.754577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.754577 (E_RNA) where: Base-Base interactions energy: -685.694 where: short stacking energy: -316.969 Base-Backbone interact. energy: -0.193 local terms energy: -341.867511 where: bonds (distance) C4'-P energy: -69.925 bonds (distance) P-C4' energy: -71.676 flat angles C4'-P-C4' energy: -77.750 flat angles P-C4'-P energy: -39.095 tors. eta vs tors. theta energy: -83.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -749.380233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.380233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.380233 (E_RNA) where: Base-Base interactions energy: -504.550 where: short stacking energy: -238.521 Base-Backbone interact. energy: 3.201 local terms energy: -248.031833 where: bonds (distance) C4'-P energy: -54.856 bonds (distance) P-C4' energy: -55.186 flat angles C4'-P-C4' energy: -62.658 flat angles P-C4'-P energy: -28.869 tors. eta vs tors. theta energy: -46.463 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: 8 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -424.165507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.165507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.165507 (E_RNA) where: Base-Base interactions energy: -213.382 where: short stacking energy: -124.581 Base-Backbone interact. energy: -1.661 local terms energy: -209.122063 where: bonds (distance) C4'-P energy: -61.355 bonds (distance) P-C4' energy: -78.723 flat angles C4'-P-C4' energy: -49.687 flat angles P-C4'-P energy: -30.638 tors. eta vs tors. theta energy: 11.281 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: 10, replica: 1 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -323.706768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.706768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.706768 (E_RNA) where: Base-Base interactions energy: -136.431 where: short stacking energy: -100.290 Base-Backbone interact. energy: 5.240 local terms energy: -192.515211 where: bonds (distance) C4'-P energy: -63.777 bonds (distance) P-C4' energy: -57.521 flat angles C4'-P-C4' energy: -58.436 flat angles P-C4'-P energy: -29.849 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: 1, replica: 6 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1378.105084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.105084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.105084 (E_RNA) where: Base-Base interactions energy: -946.441 where: short stacking energy: -425.363 Base-Backbone interact. energy: -1.611 local terms energy: -430.053100 where: bonds (distance) C4'-P energy: -86.575 bonds (distance) P-C4' energy: -73.782 flat angles C4'-P-C4' energy: -87.434 flat angles P-C4'-P energy: -61.517 tors. eta vs tors. theta energy: -120.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1340.186066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.186066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.186066 (E_RNA) where: Base-Base interactions energy: -944.748 where: short stacking energy: -401.939 Base-Backbone interact. energy: 0.054 local terms energy: -395.492042 where: bonds (distance) C4'-P energy: -74.847 bonds (distance) P-C4' energy: -70.160 flat angles C4'-P-C4' energy: -86.571 flat angles P-C4'-P energy: -49.892 tors. eta vs tors. theta energy: -114.022 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: 3 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1313.952599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.952599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.952599 (E_RNA) where: Base-Base interactions energy: -906.704 where: short stacking energy: -395.962 Base-Backbone interact. energy: -0.346 local terms energy: -406.902744 where: bonds (distance) C4'-P energy: -75.457 bonds (distance) P-C4' energy: -82.694 flat angles C4'-P-C4' energy: -85.376 flat angles P-C4'-P energy: -53.570 tors. eta vs tors. theta energy: -109.806 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: 4, replica: 2 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1276.997197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.997197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.997197 (E_RNA) where: Base-Base interactions energy: -890.654 where: short stacking energy: -373.088 Base-Backbone interact. energy: -1.630 local terms energy: -384.713231 where: bonds (distance) C4'-P energy: -72.360 bonds (distance) P-C4' energy: -74.467 flat angles C4'-P-C4' energy: -85.851 flat angles P-C4'-P energy: -44.356 tors. eta vs tors. theta energy: -107.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1172.953429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.953429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.953429 (E_RNA) where: Base-Base interactions energy: -798.543 where: short stacking energy: -354.648 Base-Backbone interact. energy: -1.356 local terms energy: -373.054460 where: bonds (distance) C4'-P energy: -65.996 bonds (distance) P-C4' energy: -56.933 flat angles C4'-P-C4' energy: -89.547 flat angles P-C4'-P energy: -58.390 tors. eta vs tors. theta energy: -102.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1041.113634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.113634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.113634 (E_RNA) where: Base-Base interactions energy: -725.497 where: short stacking energy: -310.476 Base-Backbone interact. energy: -1.300 local terms energy: -314.316160 where: bonds (distance) C4'-P energy: -61.712 bonds (distance) P-C4' energy: -54.948 flat angles C4'-P-C4' energy: -79.053 flat angles P-C4'-P energy: -47.901 tors. eta vs tors. theta energy: -70.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1092.989594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.989594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.989594 (E_RNA) where: Base-Base interactions energy: -749.339 where: short stacking energy: -338.358 Base-Backbone interact. energy: -0.749 local terms energy: -342.901219 where: bonds (distance) C4'-P energy: -68.252 bonds (distance) P-C4' energy: -56.849 flat angles C4'-P-C4' energy: -65.736 flat angles P-C4'-P energy: -50.865 tors. eta vs tors. theta energy: -101.199 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: 377 Temperature: 1.250000 Total energy: -807.303103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.303103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.303103 (E_RNA) where: Base-Base interactions energy: -549.058 where: short stacking energy: -242.409 Base-Backbone interact. energy: 4.372 local terms energy: -262.616855 where: bonds (distance) C4'-P energy: -56.981 bonds (distance) P-C4' energy: -60.166 flat angles C4'-P-C4' energy: -60.829 flat angles P-C4'-P energy: -41.107 tors. eta vs tors. theta energy: -43.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -468.892237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.892237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.892237 (E_RNA) where: Base-Base interactions energy: -228.571 where: short stacking energy: -143.025 Base-Backbone interact. energy: 0.202 local terms energy: -240.522767 where: bonds (distance) C4'-P energy: -66.210 bonds (distance) P-C4' energy: -64.713 flat angles C4'-P-C4' energy: -56.958 flat angles P-C4'-P energy: -39.973 tors. eta vs tors. theta energy: -12.667 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: 1 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -350.541918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.541918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.541918 (E_RNA) where: Base-Base interactions energy: -138.865 where: short stacking energy: -112.677 Base-Backbone interact. energy: 2.564 local terms energy: -214.241385 where: bonds (distance) C4'-P energy: -61.809 bonds (distance) P-C4' energy: -61.694 flat angles C4'-P-C4' energy: -62.890 flat angles P-C4'-P energy: -41.868 tors. eta vs tors. theta energy: 14.021 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: 6 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1400.891202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.891202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.891202 (E_RNA) where: Base-Base interactions energy: -978.178 where: short stacking energy: -438.382 Base-Backbone interact. energy: -2.144 local terms energy: -420.568640 where: bonds (distance) C4'-P energy: -71.200 bonds (distance) P-C4' energy: -73.581 flat angles C4'-P-C4' energy: -96.050 flat angles P-C4'-P energy: -56.855 tors. eta vs tors. theta energy: -122.883 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: 4 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1354.242122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.242122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.242122 (E_RNA) where: Base-Base interactions energy: -951.881 where: short stacking energy: -412.934 Base-Backbone interact. energy: 1.902 local terms energy: -404.263375 where: bonds (distance) C4'-P energy: -65.339 bonds (distance) P-C4' energy: -72.126 flat angles C4'-P-C4' energy: -95.635 flat angles P-C4'-P energy: -57.902 tors. eta vs tors. theta energy: -113.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1301.229022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.229022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.229022 (E_RNA) where: Base-Base interactions energy: -902.928 where: short stacking energy: -395.818 Base-Backbone interact. energy: -1.854 local terms energy: -396.447092 where: bonds (distance) C4'-P energy: -72.868 bonds (distance) P-C4' energy: -72.962 flat angles C4'-P-C4' energy: -87.450 flat angles P-C4'-P energy: -54.031 tors. eta vs tors. theta energy: -109.136 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: 4, replica: 2 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1242.210657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.210657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.210657 (E_RNA) where: Base-Base interactions energy: -874.734 where: short stacking energy: -372.524 Base-Backbone interact. energy: -0.939 local terms energy: -366.537344 where: bonds (distance) C4'-P energy: -73.435 bonds (distance) P-C4' energy: -60.679 flat angles C4'-P-C4' energy: -73.230 flat angles P-C4'-P energy: -49.322 tors. eta vs tors. theta energy: -109.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1135.736599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.736599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.736599 (E_RNA) where: Base-Base interactions energy: -771.639 where: short stacking energy: -329.802 Base-Backbone interact. energy: -1.498 local terms energy: -362.599038 where: bonds (distance) C4'-P energy: -78.231 bonds (distance) P-C4' energy: -74.532 flat angles C4'-P-C4' energy: -82.635 flat angles P-C4'-P energy: -46.910 tors. eta vs tors. theta energy: -80.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1044.724691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.724691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.724691 (E_RNA) where: Base-Base interactions energy: -691.880 where: short stacking energy: -306.762 Base-Backbone interact. energy: 0.248 local terms energy: -353.092901 where: bonds (distance) C4'-P energy: -66.352 bonds (distance) P-C4' energy: -78.559 flat angles C4'-P-C4' energy: -72.708 flat angles P-C4'-P energy: -51.343 tors. eta vs tors. theta energy: -84.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1096.493657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.493657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.493657 (E_RNA) where: Base-Base interactions energy: -749.339 where: short stacking energy: -343.337 Base-Backbone interact. energy: -0.289 local terms energy: -346.865884 where: bonds (distance) C4'-P energy: -45.033 bonds (distance) P-C4' energy: -66.754 flat angles C4'-P-C4' energy: -82.123 flat angles P-C4'-P energy: -49.302 tors. eta vs tors. theta energy: -103.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -828.485582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.485582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.485582 (E_RNA) where: Base-Base interactions energy: -547.631 where: short stacking energy: -254.059 Base-Backbone interact. energy: -3.336 local terms energy: -277.518523 where: bonds (distance) C4'-P energy: -58.420 bonds (distance) P-C4' energy: -61.989 flat angles C4'-P-C4' energy: -64.247 flat angles P-C4'-P energy: -41.859 tors. eta vs tors. theta energy: -51.002 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: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -466.490655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.490655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.490655 (E_RNA) where: Base-Base interactions energy: -235.208 where: short stacking energy: -137.314 Base-Backbone interact. energy: 0.770 local terms energy: -232.053205 where: bonds (distance) C4'-P energy: -55.737 bonds (distance) P-C4' energy: -66.908 flat angles C4'-P-C4' energy: -65.173 flat angles P-C4'-P energy: -34.752 tors. eta vs tors. theta energy: -9.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -391.723643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.723643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.723643 (E_RNA) where: Base-Base interactions energy: -179.816 where: short stacking energy: -99.107 Base-Backbone interact. energy: -0.235 local terms energy: -211.672131 where: bonds (distance) C4'-P energy: -55.934 bonds (distance) P-C4' energy: -69.775 flat angles C4'-P-C4' energy: -48.771 flat angles P-C4'-P energy: -40.029 tors. eta vs tors. theta energy: 2.837 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: 6 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1394.622849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.622849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.622849 (E_RNA) where: Base-Base interactions energy: -957.021 where: short stacking energy: -425.005 Base-Backbone interact. energy: -1.567 local terms energy: -436.034385 where: bonds (distance) C4'-P energy: -69.564 bonds (distance) P-C4' energy: -80.657 flat angles C4'-P-C4' energy: -86.621 flat angles P-C4'-P energy: -70.725 tors. eta vs tors. theta energy: -128.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1335.712961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.712961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.712961 (E_RNA) where: Base-Base interactions energy: -926.636 where: short stacking energy: -389.117 Base-Backbone interact. energy: -1.220 local terms energy: -407.857349 where: bonds (distance) C4'-P energy: -76.320 bonds (distance) P-C4' energy: -75.393 flat angles C4'-P-C4' energy: -90.110 flat angles P-C4'-P energy: -57.388 tors. eta vs tors. theta energy: -108.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1314.131957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.131957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.131957 (E_RNA) where: Base-Base interactions energy: -901.636 where: short stacking energy: -403.219 Base-Backbone interact. energy: 0.036 local terms energy: -412.532403 where: bonds (distance) C4'-P energy: -72.758 bonds (distance) P-C4' energy: -87.724 flat angles C4'-P-C4' energy: -84.557 flat angles P-C4'-P energy: -57.831 tors. eta vs tors. theta energy: -109.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1271.126282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.126282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.126282 (E_RNA) where: Base-Base interactions energy: -873.478 where: short stacking energy: -382.874 Base-Backbone interact. energy: 2.323 local terms energy: -399.971613 where: bonds (distance) C4'-P energy: -79.865 bonds (distance) P-C4' energy: -77.741 flat angles C4'-P-C4' energy: -87.105 flat angles P-C4'-P energy: -49.349 tors. eta vs tors. theta energy: -105.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1175.997340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.997340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.997340 (E_RNA) where: Base-Base interactions energy: -789.679 where: short stacking energy: -350.158 Base-Backbone interact. energy: -0.196 local terms energy: -386.122779 where: bonds (distance) C4'-P energy: -66.324 bonds (distance) P-C4' energy: -76.721 flat angles C4'-P-C4' energy: -86.162 flat angles P-C4'-P energy: -57.380 tors. eta vs tors. theta energy: -99.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1089.004802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.004802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.004802 (E_RNA) where: Base-Base interactions energy: -725.908 where: short stacking energy: -316.434 Base-Backbone interact. energy: -1.519 local terms energy: -361.577721 where: bonds (distance) C4'-P energy: -62.337 bonds (distance) P-C4' energy: -72.409 flat angles C4'-P-C4' energy: -80.990 flat angles P-C4'-P energy: -57.832 tors. eta vs tors. theta energy: -88.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -949.913201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.913201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.913201 (E_RNA) where: Base-Base interactions energy: -639.839 where: short stacking energy: -280.494 Base-Backbone interact. energy: -0.012 local terms energy: -310.062334 where: bonds (distance) C4'-P energy: -56.093 bonds (distance) P-C4' energy: -62.161 flat angles C4'-P-C4' energy: -79.635 flat angles P-C4'-P energy: -49.225 tors. eta vs tors. theta energy: -62.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -830.503713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.503713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.503713 (E_RNA) where: Base-Base interactions energy: -532.623 where: short stacking energy: -223.319 Base-Backbone interact. energy: 2.112 local terms energy: -299.992570 where: bonds (distance) C4'-P energy: -64.364 bonds (distance) P-C4' energy: -70.198 flat angles C4'-P-C4' energy: -62.955 flat angles P-C4'-P energy: -49.828 tors. eta vs tors. theta energy: -52.648 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: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -440.520455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.520455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.520455 (E_RNA) where: Base-Base interactions energy: -207.089 where: short stacking energy: -139.451 Base-Backbone interact. energy: -1.545 local terms energy: -231.887046 where: bonds (distance) C4'-P energy: -65.910 bonds (distance) P-C4' energy: -63.789 flat angles C4'-P-C4' energy: -57.225 flat angles P-C4'-P energy: -39.218 tors. eta vs tors. theta energy: -5.745 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: 10, replica: 1 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -418.713174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.713174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.713174 (E_RNA) where: Base-Base interactions energy: -194.590 where: short stacking energy: -117.626 Base-Backbone interact. energy: 2.155 local terms energy: -226.278328 where: bonds (distance) C4'-P energy: -65.597 bonds (distance) P-C4' energy: -50.801 flat angles C4'-P-C4' energy: -71.996 flat angles P-C4'-P energy: -37.336 tors. eta vs tors. theta energy: -0.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1378.200114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.200114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.200114 (E_RNA) where: Base-Base interactions energy: -949.710 where: short stacking energy: -415.325 Base-Backbone interact. energy: -0.792 local terms energy: -427.698191 where: bonds (distance) C4'-P energy: -80.849 bonds (distance) P-C4' energy: -73.771 flat angles C4'-P-C4' energy: -100.751 flat angles P-C4'-P energy: -55.861 tors. eta vs tors. theta energy: -116.466 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: 4 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1316.343191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.343191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.343191 (E_RNA) where: Base-Base interactions energy: -900.802 where: short stacking energy: -391.248 Base-Backbone interact. energy: -1.148 local terms energy: -414.394036 where: bonds (distance) C4'-P energy: -74.931 bonds (distance) P-C4' energy: -79.491 flat angles C4'-P-C4' energy: -83.144 flat angles P-C4'-P energy: -58.208 tors. eta vs tors. theta energy: -118.620 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: 2 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1308.756162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.756162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.756162 (E_RNA) where: Base-Base interactions energy: -907.906 where: short stacking energy: -395.943 Base-Backbone interact. energy: 0.989 local terms energy: -401.838267 where: bonds (distance) C4'-P energy: -80.156 bonds (distance) P-C4' energy: -69.957 flat angles C4'-P-C4' energy: -83.689 flat angles P-C4'-P energy: -54.597 tors. eta vs tors. theta energy: -113.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1282.955454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.955454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.955454 (E_RNA) where: Base-Base interactions energy: -884.232 where: short stacking energy: -382.633 Base-Backbone interact. energy: -0.656 local terms energy: -398.067959 where: bonds (distance) C4'-P energy: -66.539 bonds (distance) P-C4' energy: -80.279 flat angles C4'-P-C4' energy: -91.167 flat angles P-C4'-P energy: -52.569 tors. eta vs tors. theta energy: -107.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1185.146667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.146667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.146667 (E_RNA) where: Base-Base interactions energy: -814.903 where: short stacking energy: -348.061 Base-Backbone interact. energy: -1.878 local terms energy: -368.366278 where: bonds (distance) C4'-P energy: -72.615 bonds (distance) P-C4' energy: -65.792 flat angles C4'-P-C4' energy: -79.828 flat angles P-C4'-P energy: -57.232 tors. eta vs tors. theta energy: -92.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1109.968376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.968376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.968376 (E_RNA) where: Base-Base interactions energy: -759.323 where: short stacking energy: -341.888 Base-Backbone interact. energy: -0.984 local terms energy: -349.661755 where: bonds (distance) C4'-P energy: -57.404 bonds (distance) P-C4' energy: -62.874 flat angles C4'-P-C4' energy: -79.895 flat angles P-C4'-P energy: -53.702 tors. eta vs tors. theta energy: -95.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -944.095415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.095415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.095415 (E_RNA) where: Base-Base interactions energy: -610.029 where: short stacking energy: -278.478 Base-Backbone interact. energy: -0.557 local terms energy: -333.508824 where: bonds (distance) C4'-P energy: -73.655 bonds (distance) P-C4' energy: -69.489 flat angles C4'-P-C4' energy: -64.750 flat angles P-C4'-P energy: -52.933 tors. eta vs tors. theta energy: -72.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -827.035852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.035852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.035852 (E_RNA) where: Base-Base interactions energy: -534.274 where: short stacking energy: -245.441 Base-Backbone interact. energy: 2.661 local terms energy: -295.422670 where: bonds (distance) C4'-P energy: -63.690 bonds (distance) P-C4' energy: -65.620 flat angles C4'-P-C4' energy: -65.431 flat angles P-C4'-P energy: -47.004 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: 9, replica: 8 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -451.269645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.269645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.269645 (E_RNA) where: Base-Base interactions energy: -203.944 where: short stacking energy: -121.596 Base-Backbone interact. energy: -0.877 local terms energy: -246.448178 where: bonds (distance) C4'-P energy: -61.847 bonds (distance) P-C4' energy: -62.843 flat angles C4'-P-C4' energy: -66.106 flat angles P-C4'-P energy: -40.223 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: 10, replica: 1 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -321.595798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.595798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.595798 (E_RNA) where: Base-Base interactions energy: -119.930 where: short stacking energy: -93.024 Base-Backbone interact. energy: 0.377 local terms energy: -202.042377 where: bonds (distance) C4'-P energy: -71.327 bonds (distance) P-C4' energy: -53.760 flat angles C4'-P-C4' energy: -53.570 flat angles P-C4'-P energy: -31.558 tors. eta vs tors. theta energy: 8.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1388.783046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.783046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.783046 (E_RNA) where: Base-Base interactions energy: -935.811 where: short stacking energy: -423.406 Base-Backbone interact. energy: 1.290 local terms energy: -454.262474 where: bonds (distance) C4'-P energy: -91.363 bonds (distance) P-C4' energy: -82.835 flat angles C4'-P-C4' energy: -97.680 flat angles P-C4'-P energy: -59.467 tors. eta vs tors. theta energy: -122.917 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: 381 Temperature: 0.950000 Total energy: -1332.466369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.466369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.466369 (E_RNA) where: Base-Base interactions energy: -933.351 where: short stacking energy: -410.494 Base-Backbone interact. energy: -1.475 local terms energy: -397.640615 where: bonds (distance) C4'-P energy: -66.472 bonds (distance) P-C4' energy: -78.505 flat angles C4'-P-C4' energy: -87.621 flat angles P-C4'-P energy: -54.937 tors. eta vs tors. theta energy: -110.104 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: 2 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1331.169958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.169958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.169958 (E_RNA) where: Base-Base interactions energy: -923.690 where: short stacking energy: -395.575 Base-Backbone interact. energy: 0.778 local terms energy: -408.258175 where: bonds (distance) C4'-P energy: -70.986 bonds (distance) P-C4' energy: -73.484 flat angles C4'-P-C4' energy: -93.730 flat angles P-C4'-P energy: -53.212 tors. eta vs tors. theta energy: -116.846 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: 4, replica: 3 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1260.181949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.181949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.181949 (E_RNA) where: Base-Base interactions energy: -867.535 where: short stacking energy: -352.557 Base-Backbone interact. energy: -2.161 local terms energy: -390.486296 where: bonds (distance) C4'-P energy: -73.433 bonds (distance) P-C4' energy: -74.778 flat angles C4'-P-C4' energy: -85.377 flat angles P-C4'-P energy: -55.950 tors. eta vs tors. theta energy: -100.948 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: 10 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1184.141394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.141394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.141394 (E_RNA) where: Base-Base interactions energy: -816.443 where: short stacking energy: -358.812 Base-Backbone interact. energy: -0.780 local terms energy: -366.917664 where: bonds (distance) C4'-P energy: -60.954 bonds (distance) P-C4' energy: -78.866 flat angles C4'-P-C4' energy: -75.795 flat angles P-C4'-P energy: -49.536 tors. eta vs tors. theta energy: -101.768 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: 7 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1101.651607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.651607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.651607 (E_RNA) where: Base-Base interactions energy: -734.309 where: short stacking energy: -336.753 Base-Backbone interact. energy: -1.088 local terms energy: -366.254375 where: bonds (distance) C4'-P energy: -67.560 bonds (distance) P-C4' energy: -73.462 flat angles C4'-P-C4' energy: -76.632 flat angles P-C4'-P energy: -46.767 tors. eta vs tors. theta energy: -101.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -949.261791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.261791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.261791 (E_RNA) where: Base-Base interactions energy: -621.335 where: short stacking energy: -280.029 Base-Backbone interact. energy: -0.310 local terms energy: -327.616644 where: bonds (distance) C4'-P energy: -60.010 bonds (distance) P-C4' energy: -58.036 flat angles C4'-P-C4' energy: -78.602 flat angles P-C4'-P energy: -55.974 tors. eta vs tors. theta energy: -74.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -880.003376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.003376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.003376 (E_RNA) where: Base-Base interactions energy: -578.026 where: short stacking energy: -266.342 Base-Backbone interact. energy: -1.075 local terms energy: -300.901704 where: bonds (distance) C4'-P energy: -61.693 bonds (distance) P-C4' energy: -60.394 flat angles C4'-P-C4' energy: -76.977 flat angles P-C4'-P energy: -29.477 tors. eta vs tors. theta energy: -72.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -430.419449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.419449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.419449 (E_RNA) where: Base-Base interactions energy: -177.555 where: short stacking energy: -120.641 Base-Backbone interact. energy: -1.426 local terms energy: -251.438392 where: bonds (distance) C4'-P energy: -66.841 bonds (distance) P-C4' energy: -66.329 flat angles C4'-P-C4' energy: -77.471 flat angles P-C4'-P energy: -38.991 tors. eta vs tors. theta energy: -1.806 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: 1 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -335.796545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.796545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.796545 (E_RNA) where: Base-Base interactions energy: -106.529 where: short stacking energy: -98.762 Base-Backbone interact. energy: 1.554 local terms energy: -230.821830 where: bonds (distance) C4'-P energy: -61.018 bonds (distance) P-C4' energy: -64.398 flat angles C4'-P-C4' energy: -54.126 flat angles P-C4'-P energy: -49.773 tors. eta vs tors. theta energy: -1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1380.301065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.301065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.301065 (E_RNA) where: Base-Base interactions energy: -963.712 where: short stacking energy: -407.236 Base-Backbone interact. energy: -4.056 local terms energy: -412.532960 where: bonds (distance) C4'-P energy: -67.501 bonds (distance) P-C4' energy: -83.647 flat angles C4'-P-C4' energy: -91.556 flat angles P-C4'-P energy: -55.199 tors. eta vs tors. theta energy: -114.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1345.120682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.120682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.120682 (E_RNA) where: Base-Base interactions energy: -926.688 where: short stacking energy: -390.559 Base-Backbone interact. energy: -0.857 local terms energy: -417.575717 where: bonds (distance) C4'-P energy: -75.754 bonds (distance) P-C4' energy: -81.369 flat angles C4'-P-C4' energy: -80.770 flat angles P-C4'-P energy: -60.792 tors. eta vs tors. theta energy: -118.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1312.664836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.664836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.664836 (E_RNA) where: Base-Base interactions energy: -910.417 where: short stacking energy: -370.743 Base-Backbone interact. energy: -0.690 local terms energy: -401.557673 where: bonds (distance) C4'-P energy: -70.506 bonds (distance) P-C4' energy: -80.606 flat angles C4'-P-C4' energy: -88.627 flat angles P-C4'-P energy: -49.062 tors. eta vs tors. theta energy: -112.757 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: 382 Temperature: 1.050000 Total energy: -1239.742859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.742859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.742859 (E_RNA) where: Base-Base interactions energy: -871.978 where: short stacking energy: -357.251 Base-Backbone interact. energy: -0.880 local terms energy: -366.885519 where: bonds (distance) C4'-P energy: -68.002 bonds (distance) P-C4' energy: -72.005 flat angles C4'-P-C4' energy: -82.228 flat angles P-C4'-P energy: -44.104 tors. eta vs tors. theta energy: -100.546 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: 10 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1195.596982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.596982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.596982 (E_RNA) where: Base-Base interactions energy: -813.198 where: short stacking energy: -344.316 Base-Backbone interact. energy: -0.743 local terms energy: -381.656381 where: bonds (distance) C4'-P energy: -74.749 bonds (distance) P-C4' energy: -72.498 flat angles C4'-P-C4' energy: -78.268 flat angles P-C4'-P energy: -52.964 tors. eta vs tors. theta energy: -103.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1104.230677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.230677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.230677 (E_RNA) where: Base-Base interactions energy: -738.635 where: short stacking energy: -320.797 Base-Backbone interact. energy: 1.550 local terms energy: -367.145652 where: bonds (distance) C4'-P energy: -71.465 bonds (distance) P-C4' energy: -73.783 flat angles C4'-P-C4' energy: -73.242 flat angles P-C4'-P energy: -55.844 tors. eta vs tors. theta energy: -92.812 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: 7, replica: 9 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -921.060800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.060800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.060800 (E_RNA) where: Base-Base interactions energy: -625.051 where: short stacking energy: -278.975 Base-Backbone interact. energy: 2.333 local terms energy: -298.342825 where: bonds (distance) C4'-P energy: -70.984 bonds (distance) P-C4' energy: -59.941 flat angles C4'-P-C4' energy: -54.997 flat angles P-C4'-P energy: -49.604 tors. eta vs tors. theta energy: -62.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -834.873657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.873657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.873657 (E_RNA) where: Base-Base interactions energy: -540.189 where: short stacking energy: -246.022 Base-Backbone interact. energy: -1.753 local terms energy: -292.930960 where: bonds (distance) C4'-P energy: -73.034 bonds (distance) P-C4' energy: -63.486 flat angles C4'-P-C4' energy: -64.230 flat angles P-C4'-P energy: -50.798 tors. eta vs tors. theta energy: -41.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -384.674979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.674979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.674979 (E_RNA) where: Base-Base interactions energy: -188.757 where: short stacking energy: -92.869 Base-Backbone interact. energy: -0.357 local terms energy: -195.560801 where: bonds (distance) C4'-P energy: -73.428 bonds (distance) P-C4' energy: -62.464 flat angles C4'-P-C4' energy: -48.449 flat angles P-C4'-P energy: -21.601 tors. eta vs tors. theta energy: 10.381 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: 8 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -389.251728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.251728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.251728 (E_RNA) where: Base-Base interactions energy: -175.970 where: short stacking energy: -101.237 Base-Backbone interact. energy: -0.860 local terms energy: -212.421681 where: bonds (distance) C4'-P energy: -68.458 bonds (distance) P-C4' energy: -63.154 flat angles C4'-P-C4' energy: -48.179 flat angles P-C4'-P energy: -31.069 tors. eta vs tors. theta energy: -1.562 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: 6 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1392.302762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.302762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.302762 (E_RNA) where: Base-Base interactions energy: -959.853 where: short stacking energy: -431.452 Base-Backbone interact. energy: 0.761 local terms energy: -433.210127 where: bonds (distance) C4'-P energy: -70.701 bonds (distance) P-C4' energy: -74.913 flat angles C4'-P-C4' energy: -92.021 flat angles P-C4'-P energy: -68.624 tors. eta vs tors. theta energy: -126.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1351.342677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.342677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.342677 (E_RNA) where: Base-Base interactions energy: -937.035 where: short stacking energy: -412.082 Base-Backbone interact. energy: -1.118 local terms energy: -413.189709 where: bonds (distance) C4'-P energy: -65.899 bonds (distance) P-C4' energy: -71.063 flat angles C4'-P-C4' energy: -90.206 flat angles P-C4'-P energy: -64.714 tors. eta vs tors. theta energy: -121.307 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: 2 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1300.550735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.550735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.550735 (E_RNA) where: Base-Base interactions energy: -898.825 where: short stacking energy: -387.655 Base-Backbone interact. energy: -0.489 local terms energy: -401.237092 where: bonds (distance) C4'-P energy: -68.299 bonds (distance) P-C4' energy: -82.556 flat angles C4'-P-C4' energy: -91.536 flat angles P-C4'-P energy: -46.942 tors. eta vs tors. theta energy: -111.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1247.707650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.707650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.707650 (E_RNA) where: Base-Base interactions energy: -862.347 where: short stacking energy: -370.004 Base-Backbone interact. energy: -0.078 local terms energy: -385.282500 where: bonds (distance) C4'-P energy: -74.650 bonds (distance) P-C4' energy: -72.944 flat angles C4'-P-C4' energy: -77.104 flat angles P-C4'-P energy: -55.495 tors. eta vs tors. theta energy: -105.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1204.230259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.230259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.230259 (E_RNA) where: Base-Base interactions energy: -849.694 where: short stacking energy: -370.871 Base-Backbone interact. energy: -1.091 local terms energy: -353.444947 where: bonds (distance) C4'-P energy: -67.506 bonds (distance) P-C4' energy: -52.539 flat angles C4'-P-C4' energy: -81.990 flat angles P-C4'-P energy: -43.054 tors. eta vs tors. theta energy: -108.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1090.786025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.786025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.786025 (E_RNA) where: Base-Base interactions energy: -725.378 where: short stacking energy: -316.916 Base-Backbone interact. energy: -1.345 local terms energy: -364.063173 where: bonds (distance) C4'-P energy: -71.031 bonds (distance) P-C4' energy: -74.226 flat angles C4'-P-C4' energy: -72.074 flat angles P-C4'-P energy: -50.152 tors. eta vs tors. theta energy: -96.581 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: 9 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -952.007393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.007393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.007393 (E_RNA) where: Base-Base interactions energy: -618.642 where: short stacking energy: -291.957 Base-Backbone interact. energy: -1.053 local terms energy: -332.313199 where: bonds (distance) C4'-P energy: -68.530 bonds (distance) P-C4' energy: -58.994 flat angles C4'-P-C4' energy: -83.266 flat angles P-C4'-P energy: -48.532 tors. eta vs tors. theta energy: -72.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -840.420866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.420866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.420866 (E_RNA) where: Base-Base interactions energy: -543.785 where: short stacking energy: -247.553 Base-Backbone interact. energy: -1.401 local terms energy: -295.234884 where: bonds (distance) C4'-P energy: -69.290 bonds (distance) P-C4' energy: -68.313 flat angles C4'-P-C4' energy: -67.042 flat angles P-C4'-P energy: -39.300 tors. eta vs tors. theta energy: -51.290 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: 9, replica: 1 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -359.010779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.010779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.010779 (E_RNA) where: Base-Base interactions energy: -168.687 where: short stacking energy: -114.471 Base-Backbone interact. energy: 4.453 local terms energy: -194.776821 where: bonds (distance) C4'-P energy: -67.203 bonds (distance) P-C4' energy: -72.824 flat angles C4'-P-C4' energy: -55.168 flat angles P-C4'-P energy: -17.641 tors. eta vs tors. theta energy: 18.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -433.741817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.741817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.741817 (E_RNA) where: Base-Base interactions energy: -207.860 where: short stacking energy: -112.600 Base-Backbone interact. energy: 2.365 local terms energy: -228.246955 where: bonds (distance) C4'-P energy: -68.232 bonds (distance) P-C4' energy: -57.890 flat angles C4'-P-C4' energy: -64.249 flat angles P-C4'-P energy: -35.847 tors. eta vs tors. theta energy: -2.029 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: 1, replica: 4 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1367.932953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.932953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.932953 (E_RNA) where: Base-Base interactions energy: -953.449 where: short stacking energy: -399.816 Base-Backbone interact. energy: -1.916 local terms energy: -412.567850 where: bonds (distance) C4'-P energy: -81.316 bonds (distance) P-C4' energy: -72.861 flat angles C4'-P-C4' energy: -88.445 flat angles P-C4'-P energy: -45.383 tors. eta vs tors. theta energy: -124.563 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: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1365.658154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.658154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.658154 (E_RNA) where: Base-Base interactions energy: -927.885 where: short stacking energy: -402.426 Base-Backbone interact. energy: -2.849 local terms energy: -434.924503 where: bonds (distance) C4'-P energy: -79.998 bonds (distance) P-C4' energy: -82.765 flat angles C4'-P-C4' energy: -91.649 flat angles P-C4'-P energy: -58.420 tors. eta vs tors. theta energy: -122.092 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: 2 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1284.663508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.663508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.663508 (E_RNA) where: Base-Base interactions energy: -891.651 where: short stacking energy: -374.956 Base-Backbone interact. energy: 3.565 local terms energy: -396.577701 where: bonds (distance) C4'-P energy: -70.810 bonds (distance) P-C4' energy: -80.169 flat angles C4'-P-C4' energy: -84.424 flat angles P-C4'-P energy: -50.466 tors. eta vs tors. theta energy: -110.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1236.687099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.687099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.687099 (E_RNA) where: Base-Base interactions energy: -848.486 where: short stacking energy: -381.547 Base-Backbone interact. energy: 0.386 local terms energy: -388.586996 where: bonds (distance) C4'-P energy: -75.102 bonds (distance) P-C4' energy: -71.587 flat angles C4'-P-C4' energy: -74.650 flat angles P-C4'-P energy: -61.051 tors. eta vs tors. theta energy: -106.197 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: 10 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1193.236682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.236682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.236682 (E_RNA) where: Base-Base interactions energy: -819.455 where: short stacking energy: -349.444 Base-Backbone interact. energy: -0.517 local terms energy: -373.264673 where: bonds (distance) C4'-P energy: -63.288 bonds (distance) P-C4' energy: -84.033 flat angles C4'-P-C4' energy: -73.187 flat angles P-C4'-P energy: -47.011 tors. eta vs tors. theta energy: -105.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1102.598285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.598285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.598285 (E_RNA) where: Base-Base interactions energy: -743.588 where: short stacking energy: -327.255 Base-Backbone interact. energy: -1.114 local terms energy: -357.895947 where: bonds (distance) C4'-P energy: -58.617 bonds (distance) P-C4' energy: -73.995 flat angles C4'-P-C4' energy: -84.045 flat angles P-C4'-P energy: -46.693 tors. eta vs tors. theta energy: -94.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -989.401593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.401593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.401593 (E_RNA) where: Base-Base interactions energy: -657.718 where: short stacking energy: -286.457 Base-Backbone interact. energy: -0.669 local terms energy: -331.014282 where: bonds (distance) C4'-P energy: -60.525 bonds (distance) P-C4' energy: -69.385 flat angles C4'-P-C4' energy: -79.359 flat angles P-C4'-P energy: -44.451 tors. eta vs tors. theta energy: -77.294 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: 384 Temperature: 1.250000 Total energy: -801.752375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.752375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.752375 (E_RNA) where: Base-Base interactions energy: -517.548 where: short stacking energy: -251.117 Base-Backbone interact. energy: -1.481 local terms energy: -282.722912 where: bonds (distance) C4'-P energy: -56.242 bonds (distance) P-C4' energy: -61.284 flat angles C4'-P-C4' energy: -74.389 flat angles P-C4'-P energy: -28.944 tors. eta vs tors. theta energy: -61.865 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: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -496.134325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.134325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.134325 (E_RNA) where: Base-Base interactions energy: -249.632 where: short stacking energy: -133.316 Base-Backbone interact. energy: 1.167 local terms energy: -247.670130 where: bonds (distance) C4'-P energy: -65.507 bonds (distance) P-C4' energy: -69.477 flat angles C4'-P-C4' energy: -50.471 flat angles P-C4'-P energy: -48.118 tors. eta vs tors. theta energy: -14.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -338.274972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.274972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.274972 (E_RNA) where: Base-Base interactions energy: -127.106 where: short stacking energy: -113.796 Base-Backbone interact. energy: 0.116 local terms energy: -211.284758 where: bonds (distance) C4'-P energy: -55.603 bonds (distance) P-C4' energy: -60.498 flat angles C4'-P-C4' energy: -74.637 flat angles P-C4'-P energy: -26.063 tors. eta vs tors. theta energy: 5.516 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: 4 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1382.351994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.351994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.351994 (E_RNA) where: Base-Base interactions energy: -955.533 where: short stacking energy: -410.049 Base-Backbone interact. energy: -2.812 local terms energy: -424.007473 where: bonds (distance) C4'-P energy: -76.170 bonds (distance) P-C4' energy: -77.876 flat angles C4'-P-C4' energy: -86.951 flat angles P-C4'-P energy: -58.762 tors. eta vs tors. theta energy: -124.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1370.075688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.075688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.075688 (E_RNA) where: Base-Base interactions energy: -960.010 where: short stacking energy: -401.710 Base-Backbone interact. energy: -0.154 local terms energy: -409.911946 where: bonds (distance) C4'-P energy: -77.033 bonds (distance) P-C4' energy: -72.936 flat angles C4'-P-C4' energy: -83.276 flat angles P-C4'-P energy: -57.335 tors. eta vs tors. theta energy: -119.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1313.311608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.311608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.311608 (E_RNA) where: Base-Base interactions energy: -901.843 where: short stacking energy: -375.733 Base-Backbone interact. energy: -0.062 local terms energy: -411.406149 where: bonds (distance) C4'-P energy: -74.851 bonds (distance) P-C4' energy: -67.248 flat angles C4'-P-C4' energy: -100.879 flat angles P-C4'-P energy: -55.025 tors. eta vs tors. theta energy: -113.402 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: 10 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1197.831190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.831190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.831190 (E_RNA) where: Base-Base interactions energy: -806.438 where: short stacking energy: -326.793 Base-Backbone interact. energy: 1.795 local terms energy: -393.188373 where: bonds (distance) C4'-P energy: -76.293 bonds (distance) P-C4' energy: -80.379 flat angles C4'-P-C4' energy: -83.621 flat angles P-C4'-P energy: -48.055 tors. eta vs tors. theta energy: -104.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1204.243922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.243922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.243922 (E_RNA) where: Base-Base interactions energy: -830.032 where: short stacking energy: -329.486 Base-Backbone interact. energy: 1.107 local terms energy: -375.318780 where: bonds (distance) C4'-P energy: -57.179 bonds (distance) P-C4' energy: -78.684 flat angles C4'-P-C4' energy: -87.471 flat angles P-C4'-P energy: -61.604 tors. eta vs tors. theta energy: -90.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1134.019461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.019461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.019461 (E_RNA) where: Base-Base interactions energy: -768.401 where: short stacking energy: -333.621 Base-Backbone interact. energy: 0.251 local terms energy: -365.869352 where: bonds (distance) C4'-P energy: -69.431 bonds (distance) P-C4' energy: -65.796 flat angles C4'-P-C4' energy: -88.670 flat angles P-C4'-P energy: -48.558 tors. eta vs tors. theta energy: -93.415 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: 9 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -994.290260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.290260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.290260 (E_RNA) where: Base-Base interactions energy: -656.272 where: short stacking energy: -297.323 Base-Backbone interact. energy: -1.207 local terms energy: -336.810586 where: bonds (distance) C4'-P energy: -73.372 bonds (distance) P-C4' energy: -75.358 flat angles C4'-P-C4' energy: -74.693 flat angles P-C4'-P energy: -42.492 tors. eta vs tors. theta energy: -70.895 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: 5 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -804.764320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.764320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.764320 (E_RNA) where: Base-Base interactions energy: -518.858 where: short stacking energy: -233.404 Base-Backbone interact. energy: -0.989 local terms energy: -284.916841 where: bonds (distance) C4'-P energy: -57.433 bonds (distance) P-C4' energy: -61.354 flat angles C4'-P-C4' energy: -65.828 flat angles P-C4'-P energy: -48.642 tors. eta vs tors. theta energy: -51.659 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: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -495.658716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.658716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.658716 (E_RNA) where: Base-Base interactions energy: -245.609 where: short stacking energy: -128.336 Base-Backbone interact. energy: 1.975 local terms energy: -252.024443 where: bonds (distance) C4'-P energy: -62.084 bonds (distance) P-C4' energy: -61.409 flat angles C4'-P-C4' energy: -65.385 flat angles P-C4'-P energy: -48.107 tors. eta vs tors. theta energy: -15.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -323.082394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.082394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.082394 (E_RNA) where: Base-Base interactions energy: -102.558 where: short stacking energy: -81.807 Base-Backbone interact. energy: -0.848 local terms energy: -219.675693 where: bonds (distance) C4'-P energy: -71.518 bonds (distance) P-C4' energy: -66.485 flat angles C4'-P-C4' energy: -60.770 flat angles P-C4'-P energy: -36.214 tors. eta vs tors. theta energy: 15.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1369.014193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.014193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.014193 (E_RNA) where: Base-Base interactions energy: -942.454 where: short stacking energy: -412.503 Base-Backbone interact. energy: -2.286 local terms energy: -424.274848 where: bonds (distance) C4'-P energy: -78.699 bonds (distance) P-C4' energy: -69.963 flat angles C4'-P-C4' energy: -94.890 flat angles P-C4'-P energy: -56.894 tors. eta vs tors. theta energy: -123.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1339.240463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.240463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.240463 (E_RNA) where: Base-Base interactions energy: -938.515 where: short stacking energy: -375.596 Base-Backbone interact. energy: -2.034 local terms energy: -398.691115 where: bonds (distance) C4'-P energy: -79.426 bonds (distance) P-C4' energy: -73.807 flat angles C4'-P-C4' energy: -86.496 flat angles P-C4'-P energy: -53.527 tors. eta vs tors. theta energy: -105.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1325.256896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.256896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.256896 (E_RNA) where: Base-Base interactions energy: -909.171 where: short stacking energy: -369.466 Base-Backbone interact. energy: -1.304 local terms energy: -414.781276 where: bonds (distance) C4'-P energy: -73.709 bonds (distance) P-C4' energy: -83.250 flat angles C4'-P-C4' energy: -92.568 flat angles P-C4'-P energy: -58.868 tors. eta vs tors. theta energy: -106.387 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: 10 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1223.132991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.132991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.132991 (E_RNA) where: Base-Base interactions energy: -834.339 where: short stacking energy: -372.037 Base-Backbone interact. energy: -1.076 local terms energy: -387.718513 where: bonds (distance) C4'-P energy: -66.500 bonds (distance) P-C4' energy: -76.528 flat angles C4'-P-C4' energy: -90.600 flat angles P-C4'-P energy: -54.320 tors. eta vs tors. theta energy: -99.771 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: 5, replica: 3 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1191.749476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.749476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.749476 (E_RNA) where: Base-Base interactions energy: -818.632 where: short stacking energy: -358.499 Base-Backbone interact. energy: -0.775 local terms energy: -372.341930 where: bonds (distance) C4'-P energy: -78.098 bonds (distance) P-C4' energy: -76.317 flat angles C4'-P-C4' energy: -87.759 flat angles P-C4'-P energy: -40.427 tors. eta vs tors. theta energy: -89.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1070.762459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.762459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.762459 (E_RNA) where: Base-Base interactions energy: -734.405 where: short stacking energy: -305.553 Base-Backbone interact. energy: -3.841 local terms energy: -332.516803 where: bonds (distance) C4'-P energy: -66.568 bonds (distance) P-C4' energy: -64.567 flat angles C4'-P-C4' energy: -72.427 flat angles P-C4'-P energy: -41.306 tors. eta vs tors. theta energy: -87.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -941.359819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.359819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.359819 (E_RNA) where: Base-Base interactions energy: -614.619 where: short stacking energy: -262.681 Base-Backbone interact. energy: 1.160 local terms energy: -327.900160 where: bonds (distance) C4'-P energy: -67.248 bonds (distance) P-C4' energy: -71.288 flat angles C4'-P-C4' energy: -73.070 flat angles P-C4'-P energy: -46.216 tors. eta vs tors. theta energy: -70.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -832.684873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.684873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.684873 (E_RNA) where: Base-Base interactions energy: -533.705 where: short stacking energy: -252.074 Base-Backbone interact. energy: -0.876 local terms energy: -298.104628 where: bonds (distance) C4'-P energy: -50.476 bonds (distance) P-C4' energy: -66.803 flat angles C4'-P-C4' energy: -69.644 flat angles P-C4'-P energy: -51.081 tors. eta vs tors. theta energy: -60.101 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: 386 Temperature: 1.300000 Total energy: -538.140832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.140832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.140832 (E_RNA) where: Base-Base interactions energy: -292.773 where: short stacking energy: -159.200 Base-Backbone interact. energy: -0.996 local terms energy: -244.372117 where: bonds (distance) C4'-P energy: -64.966 bonds (distance) P-C4' energy: -70.554 flat angles C4'-P-C4' energy: -64.559 flat angles P-C4'-P energy: -32.188 tors. eta vs tors. theta energy: -12.104 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: 1 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -337.953477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.953477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.953477 (E_RNA) where: Base-Base interactions energy: -145.728 where: short stacking energy: -108.412 Base-Backbone interact. energy: 0.328 local terms energy: -192.554252 where: bonds (distance) C4'-P energy: -47.783 bonds (distance) P-C4' energy: -69.295 flat angles C4'-P-C4' energy: -56.619 flat angles P-C4'-P energy: -33.284 tors. eta vs tors. theta energy: 14.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1374.201209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.201209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.201209 (E_RNA) where: Base-Base interactions energy: -947.095 where: short stacking energy: -413.843 Base-Backbone interact. energy: -1.811 local terms energy: -425.294915 where: bonds (distance) C4'-P energy: -66.815 bonds (distance) P-C4' energy: -80.078 flat angles C4'-P-C4' energy: -91.729 flat angles P-C4'-P energy: -62.892 tors. eta vs tors. theta energy: -123.781 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: 6 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1330.627998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.627998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.627998 (E_RNA) where: Base-Base interactions energy: -919.552 where: short stacking energy: -419.727 Base-Backbone interact. energy: 0.358 local terms energy: -411.433764 where: bonds (distance) C4'-P energy: -75.690 bonds (distance) P-C4' energy: -76.210 flat angles C4'-P-C4' energy: -81.600 flat angles P-C4'-P energy: -56.628 tors. eta vs tors. theta energy: -121.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1300.247568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.247568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.247568 (E_RNA) where: Base-Base interactions energy: -921.328 where: short stacking energy: -394.752 Base-Backbone interact. energy: -0.744 local terms energy: -378.175490 where: bonds (distance) C4'-P energy: -51.046 bonds (distance) P-C4' energy: -75.336 flat angles C4'-P-C4' energy: -90.056 flat angles P-C4'-P energy: -52.871 tors. eta vs tors. theta energy: -108.866 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: 4, replica: 3 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1252.305309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.305309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.305309 (E_RNA) where: Base-Base interactions energy: -877.146 where: short stacking energy: -363.825 Base-Backbone interact. energy: 1.501 local terms energy: -376.659607 where: bonds (distance) C4'-P energy: -70.204 bonds (distance) P-C4' energy: -81.817 flat angles C4'-P-C4' energy: -74.978 flat angles P-C4'-P energy: -52.304 tors. eta vs tors. theta energy: -97.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1185.535882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.535882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.535882 (E_RNA) where: Base-Base interactions energy: -823.087 where: short stacking energy: -360.565 Base-Backbone interact. energy: -2.208 local terms energy: -360.240857 where: bonds (distance) C4'-P energy: -54.855 bonds (distance) P-C4' energy: -67.432 flat angles C4'-P-C4' energy: -86.566 flat angles P-C4'-P energy: -53.622 tors. eta vs tors. theta energy: -97.765 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: 7 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1034.430403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.430403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.430403 (E_RNA) where: Base-Base interactions energy: -711.563 where: short stacking energy: -322.912 Base-Backbone interact. energy: 0.224 local terms energy: -323.091097 where: bonds (distance) C4'-P energy: -58.015 bonds (distance) P-C4' energy: -60.238 flat angles C4'-P-C4' energy: -68.406 flat angles P-C4'-P energy: -47.339 tors. eta vs tors. theta energy: -89.093 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: 9 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -939.079497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.079497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.079497 (E_RNA) where: Base-Base interactions energy: -595.134 where: short stacking energy: -271.147 Base-Backbone interact. energy: 0.388 local terms energy: -344.333307 where: bonds (distance) C4'-P energy: -81.527 bonds (distance) P-C4' energy: -77.197 flat angles C4'-P-C4' energy: -69.529 flat angles P-C4'-P energy: -46.791 tors. eta vs tors. theta energy: -69.290 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: 5 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -840.260442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.260442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.260442 (E_RNA) where: Base-Base interactions energy: -558.071 where: short stacking energy: -246.965 Base-Backbone interact. energy: -0.896 local terms energy: -281.293924 where: bonds (distance) C4'-P energy: -60.964 bonds (distance) P-C4' energy: -76.667 flat angles C4'-P-C4' energy: -55.872 flat angles P-C4'-P energy: -31.917 tors. eta vs tors. theta energy: -55.873 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: 8 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -543.843312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.843312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.843312 (E_RNA) where: Base-Base interactions energy: -305.694 where: short stacking energy: -146.987 Base-Backbone interact. energy: 0.738 local terms energy: -238.887060 where: bonds (distance) C4'-P energy: -74.804 bonds (distance) P-C4' energy: -64.449 flat angles C4'-P-C4' energy: -50.297 flat angles P-C4'-P energy: -36.716 tors. eta vs tors. theta energy: -12.620 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: 1 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -326.749828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.749828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.749828 (E_RNA) where: Base-Base interactions energy: -131.601 where: short stacking energy: -99.807 Base-Backbone interact. energy: 5.764 local terms energy: -200.912503 where: bonds (distance) C4'-P energy: -49.626 bonds (distance) P-C4' energy: -66.660 flat angles C4'-P-C4' energy: -65.506 flat angles P-C4'-P energy: -17.060 tors. eta vs tors. theta energy: -2.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1378.875598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.875598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.875598 (E_RNA) where: Base-Base interactions energy: -941.387 where: short stacking energy: -404.446 Base-Backbone interact. energy: -1.598 local terms energy: -435.890034 where: bonds (distance) C4'-P energy: -81.542 bonds (distance) P-C4' energy: -78.011 flat angles C4'-P-C4' energy: -87.441 flat angles P-C4'-P energy: -63.086 tors. eta vs tors. theta energy: -125.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1333.025975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.025975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.025975 (E_RNA) where: Base-Base interactions energy: -921.047 where: short stacking energy: -416.978 Base-Backbone interact. energy: -0.279 local terms energy: -411.699720 where: bonds (distance) C4'-P energy: -70.175 bonds (distance) P-C4' energy: -75.841 flat angles C4'-P-C4' energy: -84.985 flat angles P-C4'-P energy: -64.784 tors. eta vs tors. theta energy: -115.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1317.442142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.442142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.442142 (E_RNA) where: Base-Base interactions energy: -913.575 where: short stacking energy: -395.440 Base-Backbone interact. energy: -0.692 local terms energy: -403.174741 where: bonds (distance) C4'-P energy: -69.334 bonds (distance) P-C4' energy: -80.877 flat angles C4'-P-C4' energy: -81.849 flat angles P-C4'-P energy: -57.768 tors. eta vs tors. theta energy: -113.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1255.909959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.909959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.909959 (E_RNA) where: Base-Base interactions energy: -857.254 where: short stacking energy: -376.240 Base-Backbone interact. energy: -1.936 local terms energy: -396.719896 where: bonds (distance) C4'-P energy: -67.379 bonds (distance) P-C4' energy: -76.815 flat angles C4'-P-C4' energy: -84.930 flat angles P-C4'-P energy: -55.453 tors. eta vs tors. theta energy: -112.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1142.041384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.041384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.041384 (E_RNA) where: Base-Base interactions energy: -781.478 where: short stacking energy: -336.121 Base-Backbone interact. energy: -1.256 local terms energy: -359.307611 where: bonds (distance) C4'-P energy: -67.862 bonds (distance) P-C4' energy: -66.258 flat angles C4'-P-C4' energy: -79.317 flat angles P-C4'-P energy: -57.766 tors. eta vs tors. theta energy: -88.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1030.520046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.520046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.520046 (E_RNA) where: Base-Base interactions energy: -685.524 where: short stacking energy: -311.017 Base-Backbone interact. energy: -3.122 local terms energy: -341.874271 where: bonds (distance) C4'-P energy: -71.143 bonds (distance) P-C4' energy: -65.712 flat angles C4'-P-C4' energy: -75.602 flat angles P-C4'-P energy: -44.105 tors. eta vs tors. theta energy: -85.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -914.824007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.824007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.824007 (E_RNA) where: Base-Base interactions energy: -592.308 where: short stacking energy: -273.336 Base-Backbone interact. energy: -1.614 local terms energy: -320.901359 where: bonds (distance) C4'-P energy: -58.721 bonds (distance) P-C4' energy: -67.151 flat angles C4'-P-C4' energy: -79.228 flat angles P-C4'-P energy: -39.293 tors. eta vs tors. theta energy: -76.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -796.106085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.106085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.106085 (E_RNA) where: Base-Base interactions energy: -516.243 where: short stacking energy: -232.598 Base-Backbone interact. energy: 1.154 local terms energy: -281.016608 where: bonds (distance) C4'-P energy: -66.950 bonds (distance) P-C4' energy: -66.503 flat angles C4'-P-C4' energy: -72.997 flat angles P-C4'-P energy: -33.912 tors. eta vs tors. theta energy: -40.654 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: 9, replica: 8 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -557.996379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.996379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.996379 (E_RNA) where: Base-Base interactions energy: -331.854 where: short stacking energy: -161.000 Base-Backbone interact. energy: 0.475 local terms energy: -226.616991 where: bonds (distance) C4'-P energy: -55.173 bonds (distance) P-C4' energy: -65.439 flat angles C4'-P-C4' energy: -56.853 flat angles P-C4'-P energy: -35.457 tors. eta vs tors. theta energy: -13.695 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: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -327.066557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.066557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.066557 (E_RNA) where: Base-Base interactions energy: -106.389 where: short stacking energy: -83.809 Base-Backbone interact. energy: -0.049 local terms energy: -220.628939 where: bonds (distance) C4'-P energy: -73.907 bonds (distance) P-C4' energy: -58.154 flat angles C4'-P-C4' energy: -50.891 flat angles P-C4'-P energy: -41.414 tors. eta vs tors. theta energy: 3.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1393.289856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.289856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.289856 (E_RNA) where: Base-Base interactions energy: -969.913 where: short stacking energy: -432.584 Base-Backbone interact. energy: -0.805 local terms energy: -422.572065 where: bonds (distance) C4'-P energy: -69.490 bonds (distance) P-C4' energy: -73.040 flat angles C4'-P-C4' energy: -87.888 flat angles P-C4'-P energy: -64.491 tors. eta vs tors. theta energy: -127.663 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: 2, replica: 6 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1345.855292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.855292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.855292 (E_RNA) where: Base-Base interactions energy: -922.728 where: short stacking energy: -423.087 Base-Backbone interact. energy: -1.026 local terms energy: -422.101320 where: bonds (distance) C4'-P energy: -82.601 bonds (distance) P-C4' energy: -68.517 flat angles C4'-P-C4' energy: -86.086 flat angles P-C4'-P energy: -60.147 tors. eta vs tors. theta energy: -124.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1289.589925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.589925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.589925 (E_RNA) where: Base-Base interactions energy: -895.420 where: short stacking energy: -371.246 Base-Backbone interact. energy: 4.114 local terms energy: -398.283730 where: bonds (distance) C4'-P energy: -79.502 bonds (distance) P-C4' energy: -79.925 flat angles C4'-P-C4' energy: -88.130 flat angles P-C4'-P energy: -42.186 tors. eta vs tors. theta energy: -108.541 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: 389 Temperature: 1.050000 Total energy: -1263.696337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.696337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.696337 (E_RNA) where: Base-Base interactions energy: -873.706 where: short stacking energy: -373.803 Base-Backbone interact. energy: -2.011 local terms energy: -387.979785 where: bonds (distance) C4'-P energy: -74.351 bonds (distance) P-C4' energy: -79.383 flat angles C4'-P-C4' energy: -81.352 flat angles P-C4'-P energy: -45.208 tors. eta vs tors. theta energy: -107.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1156.614060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.614060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.614060 (E_RNA) where: Base-Base interactions energy: -793.287 where: short stacking energy: -355.514 Base-Backbone interact. energy: 0.023 local terms energy: -363.349749 where: bonds (distance) C4'-P energy: -71.887 bonds (distance) P-C4' energy: -59.114 flat angles C4'-P-C4' energy: -80.148 flat angles P-C4'-P energy: -52.528 tors. eta vs tors. theta energy: -99.673 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: 7 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1069.888748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.888748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.888748 (E_RNA) where: Base-Base interactions energy: -716.793 where: short stacking energy: -301.323 Base-Backbone interact. energy: -1.028 local terms energy: -352.067661 where: bonds (distance) C4'-P energy: -63.791 bonds (distance) P-C4' energy: -78.256 flat angles C4'-P-C4' energy: -73.367 flat angles P-C4'-P energy: -45.462 tors. eta vs tors. theta energy: -91.191 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: 9 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -934.137099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.137099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.137099 (E_RNA) where: Base-Base interactions energy: -611.426 where: short stacking energy: -279.588 Base-Backbone interact. energy: 0.174 local terms energy: -322.884982 where: bonds (distance) C4'-P energy: -48.211 bonds (distance) P-C4' energy: -69.404 flat angles C4'-P-C4' energy: -69.918 flat angles P-C4'-P energy: -55.816 tors. eta vs tors. theta energy: -79.536 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: 8, replica: 5 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -827.386136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.386136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.386136 (E_RNA) where: Base-Base interactions energy: -546.109 where: short stacking energy: -255.990 Base-Backbone interact. energy: -0.484 local terms energy: -280.792942 where: bonds (distance) C4'-P energy: -52.242 bonds (distance) P-C4' energy: -59.762 flat angles C4'-P-C4' energy: -64.125 flat angles P-C4'-P energy: -50.544 tors. eta vs tors. theta energy: -54.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -568.907097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.907097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.907097 (E_RNA) where: Base-Base interactions energy: -307.793 where: short stacking energy: -161.089 Base-Backbone interact. energy: 0.338 local terms energy: -261.451765 where: bonds (distance) C4'-P energy: -64.483 bonds (distance) P-C4' energy: -65.867 flat angles C4'-P-C4' energy: -62.723 flat angles P-C4'-P energy: -46.305 tors. eta vs tors. theta energy: -22.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -311.498945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.498945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.498945 (E_RNA) where: Base-Base interactions energy: -108.070 where: short stacking energy: -94.723 Base-Backbone interact. energy: -0.315 local terms energy: -203.114574 where: bonds (distance) C4'-P energy: -63.182 bonds (distance) P-C4' energy: -72.446 flat angles C4'-P-C4' energy: -44.164 flat angles P-C4'-P energy: -26.187 tors. eta vs tors. theta energy: 2.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1378.251829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.251829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.251829 (E_RNA) where: Base-Base interactions energy: -941.112 where: short stacking energy: -420.026 Base-Backbone interact. energy: -0.985 local terms energy: -436.154373 where: bonds (distance) C4'-P energy: -84.607 bonds (distance) P-C4' energy: -80.164 flat angles C4'-P-C4' energy: -87.714 flat angles P-C4'-P energy: -68.315 tors. eta vs tors. theta energy: -115.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1359.156669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.156669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.156669 (E_RNA) where: Base-Base interactions energy: -953.375 where: short stacking energy: -395.871 Base-Backbone interact. energy: -1.214 local terms energy: -404.567717 where: bonds (distance) C4'-P energy: -78.901 bonds (distance) P-C4' energy: -73.407 flat angles C4'-P-C4' energy: -81.484 flat angles P-C4'-P energy: -51.145 tors. eta vs tors. theta energy: -119.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1277.542628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.542628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.542628 (E_RNA) where: Base-Base interactions energy: -872.317 where: short stacking energy: -371.665 Base-Backbone interact. energy: -1.184 local terms energy: -404.042264 where: bonds (distance) C4'-P energy: -63.187 bonds (distance) P-C4' energy: -75.764 flat angles C4'-P-C4' energy: -90.392 flat angles P-C4'-P energy: -63.878 tors. eta vs tors. theta energy: -110.822 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: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1252.515653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.515653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.515653 (E_RNA) where: Base-Base interactions energy: -855.590 where: short stacking energy: -376.290 Base-Backbone interact. energy: -4.302 local terms energy: -392.624173 where: bonds (distance) C4'-P energy: -67.056 bonds (distance) P-C4' energy: -77.989 flat angles C4'-P-C4' energy: -81.616 flat angles P-C4'-P energy: -61.727 tors. eta vs tors. theta energy: -104.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1157.624792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.624792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.624792 (E_RNA) where: Base-Base interactions energy: -792.008 where: short stacking energy: -358.415 Base-Backbone interact. energy: -2.236 local terms energy: -363.380475 where: bonds (distance) C4'-P energy: -63.889 bonds (distance) P-C4' energy: -62.558 flat angles C4'-P-C4' energy: -79.471 flat angles P-C4'-P energy: -55.675 tors. eta vs tors. theta energy: -101.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1047.354974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.354974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.354974 (E_RNA) where: Base-Base interactions energy: -715.699 where: short stacking energy: -313.504 Base-Backbone interact. energy: -0.564 local terms energy: -331.092587 where: bonds (distance) C4'-P energy: -48.614 bonds (distance) P-C4' energy: -71.453 flat angles C4'-P-C4' energy: -86.441 flat angles P-C4'-P energy: -46.941 tors. eta vs tors. theta energy: -77.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -867.141311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.141311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.141311 (E_RNA) where: Base-Base interactions energy: -564.602 where: short stacking energy: -259.708 Base-Backbone interact. energy: -2.497 local terms energy: -300.041766 where: bonds (distance) C4'-P energy: -56.954 bonds (distance) P-C4' energy: -71.249 flat angles C4'-P-C4' energy: -72.618 flat angles P-C4'-P energy: -46.563 tors. eta vs tors. theta energy: -52.658 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: 8, replica: 9 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -896.248875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.248875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.248875 (E_RNA) where: Base-Base interactions energy: -601.340 where: short stacking energy: -274.632 Base-Backbone interact. energy: 0.388 local terms energy: -295.296336 where: bonds (distance) C4'-P energy: -55.305 bonds (distance) P-C4' energy: -62.012 flat angles C4'-P-C4' energy: -63.702 flat angles P-C4'-P energy: -43.934 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: 9, replica: 8 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -571.022315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.022315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.022315 (E_RNA) where: Base-Base interactions energy: -333.938 where: short stacking energy: -156.790 Base-Backbone interact. energy: 4.398 local terms energy: -241.482197 where: bonds (distance) C4'-P energy: -66.414 bonds (distance) P-C4' energy: -70.559 flat angles C4'-P-C4' energy: -49.262 flat angles P-C4'-P energy: -30.502 tors. eta vs tors. theta energy: -24.745 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: 10, replica: 1 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -327.166917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.166917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.166917 (E_RNA) where: Base-Base interactions energy: -126.067 where: short stacking energy: -75.358 Base-Backbone interact. energy: -2.332 local terms energy: -198.767253 where: bonds (distance) C4'-P energy: -69.728 bonds (distance) P-C4' energy: -63.634 flat angles C4'-P-C4' energy: -57.767 flat angles P-C4'-P energy: -29.654 tors. eta vs tors. theta energy: 22.015 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: 6 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1405.879941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.879941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.879941 (E_RNA) where: Base-Base interactions energy: -959.383 where: short stacking energy: -424.467 Base-Backbone interact. energy: 1.631 local terms energy: -448.127687 where: bonds (distance) C4'-P energy: -76.411 bonds (distance) P-C4' energy: -86.505 flat angles C4'-P-C4' energy: -95.607 flat angles P-C4'-P energy: -58.510 tors. eta vs tors. theta energy: -131.094 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: 4 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1383.040737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.040737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.040737 (E_RNA) where: Base-Base interactions energy: -959.176 where: short stacking energy: -417.345 Base-Backbone interact. energy: -0.305 local terms energy: -423.559254 where: bonds (distance) C4'-P energy: -81.818 bonds (distance) P-C4' energy: -81.113 flat angles C4'-P-C4' energy: -82.905 flat angles P-C4'-P energy: -50.801 tors. eta vs tors. theta energy: -126.922 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: 3, replica: 2 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1293.378374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.378374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.378374 (E_RNA) where: Base-Base interactions energy: -874.079 where: short stacking energy: -367.203 Base-Backbone interact. energy: 1.875 local terms energy: -421.174045 where: bonds (distance) C4'-P energy: -81.386 bonds (distance) P-C4' energy: -77.658 flat angles C4'-P-C4' energy: -87.470 flat angles P-C4'-P energy: -53.664 tors. eta vs tors. theta energy: -120.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1232.821572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.821572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.821572 (E_RNA) where: Base-Base interactions energy: -850.840 where: short stacking energy: -367.755 Base-Backbone interact. energy: -0.250 local terms energy: -381.731772 where: bonds (distance) C4'-P energy: -69.008 bonds (distance) P-C4' energy: -68.279 flat angles C4'-P-C4' energy: -77.374 flat angles P-C4'-P energy: -59.805 tors. eta vs tors. theta energy: -107.266 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: 10 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1205.015622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.015622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.015622 (E_RNA) where: Base-Base interactions energy: -821.348 where: short stacking energy: -371.138 Base-Backbone interact. energy: -0.366 local terms energy: -383.301849 where: bonds (distance) C4'-P energy: -72.610 bonds (distance) P-C4' energy: -84.116 flat angles C4'-P-C4' energy: -80.804 flat angles P-C4'-P energy: -47.295 tors. eta vs tors. theta energy: -98.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1072.568659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.568659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.568659 (E_RNA) where: Base-Base interactions energy: -721.151 where: short stacking energy: -324.294 Base-Backbone interact. energy: -2.021 local terms energy: -349.396280 where: bonds (distance) C4'-P energy: -67.741 bonds (distance) P-C4' energy: -76.646 flat angles C4'-P-C4' energy: -69.484 flat angles P-C4'-P energy: -49.985 tors. eta vs tors. theta energy: -85.541 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: 391 Temperature: 1.200000 Total energy: -826.513054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.513054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.513054 (E_RNA) where: Base-Base interactions energy: -544.004 where: short stacking energy: -228.328 Base-Backbone interact. energy: -1.148 local terms energy: -281.360794 where: bonds (distance) C4'-P energy: -66.793 bonds (distance) P-C4' energy: -56.071 flat angles C4'-P-C4' energy: -66.750 flat angles P-C4'-P energy: -45.024 tors. eta vs tors. theta energy: -46.723 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: 9 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -831.302021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.302021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.302021 (E_RNA) where: Base-Base interactions energy: -567.434 where: short stacking energy: -238.940 Base-Backbone interact. energy: -0.438 local terms energy: -263.430346 where: bonds (distance) C4'-P energy: -64.954 bonds (distance) P-C4' energy: -49.463 flat angles C4'-P-C4' energy: -65.672 flat angles P-C4'-P energy: -43.784 tors. eta vs tors. theta energy: -39.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -564.156409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.156409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.156409 (E_RNA) where: Base-Base interactions energy: -303.805 where: short stacking energy: -163.053 Base-Backbone interact. energy: 1.529 local terms energy: -261.879950 where: bonds (distance) C4'-P energy: -52.356 bonds (distance) P-C4' energy: -72.292 flat angles C4'-P-C4' energy: -66.796 flat angles P-C4'-P energy: -42.971 tors. eta vs tors. theta energy: -27.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -317.267881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.267881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.267881 (E_RNA) where: Base-Base interactions energy: -92.219 where: short stacking energy: -85.931 Base-Backbone interact. energy: -1.597 local terms energy: -223.451700 where: bonds (distance) C4'-P energy: -53.326 bonds (distance) P-C4' energy: -79.783 flat angles C4'-P-C4' energy: -53.089 flat angles P-C4'-P energy: -38.114 tors. eta vs tors. theta energy: 0.860 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: 1, replica: 6 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1383.764202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.764202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.764202 (E_RNA) where: Base-Base interactions energy: -971.789 where: short stacking energy: -410.496 Base-Backbone interact. energy: -1.795 local terms energy: -410.180322 where: bonds (distance) C4'-P energy: -73.573 bonds (distance) P-C4' energy: -70.787 flat angles C4'-P-C4' energy: -85.622 flat angles P-C4'-P energy: -58.669 tors. eta vs tors. theta energy: -121.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1383.046228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.046228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.046228 (E_RNA) where: Base-Base interactions energy: -950.598 where: short stacking energy: -402.787 Base-Backbone interact. energy: -1.906 local terms energy: -430.541831 where: bonds (distance) C4'-P energy: -76.086 bonds (distance) P-C4' energy: -84.867 flat angles C4'-P-C4' energy: -83.897 flat angles P-C4'-P energy: -64.560 tors. eta vs tors. theta energy: -121.131 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: 2 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1258.154620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.154620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.154620 (E_RNA) where: Base-Base interactions energy: -864.935 where: short stacking energy: -369.254 Base-Backbone interact. energy: 4.563 local terms energy: -397.782130 where: bonds (distance) C4'-P energy: -62.474 bonds (distance) P-C4' energy: -87.066 flat angles C4'-P-C4' energy: -84.059 flat angles P-C4'-P energy: -45.412 tors. eta vs tors. theta energy: -118.772 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: 3 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1246.369701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.369701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.369701 (E_RNA) where: Base-Base interactions energy: -853.277 where: short stacking energy: -364.580 Base-Backbone interact. energy: -2.220 local terms energy: -390.872999 where: bonds (distance) C4'-P energy: -72.668 bonds (distance) P-C4' energy: -71.908 flat angles C4'-P-C4' energy: -83.105 flat angles P-C4'-P energy: -61.872 tors. eta vs tors. theta energy: -101.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1187.143076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.143076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.143076 (E_RNA) where: Base-Base interactions energy: -816.532 where: short stacking energy: -369.871 Base-Backbone interact. energy: 0.060 local terms energy: -370.671552 where: bonds (distance) C4'-P energy: -60.664 bonds (distance) P-C4' energy: -74.517 flat angles C4'-P-C4' energy: -81.771 flat angles P-C4'-P energy: -50.306 tors. eta vs tors. theta energy: -103.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1080.014724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.014724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.014724 (E_RNA) where: Base-Base interactions energy: -707.023 where: short stacking energy: -314.365 Base-Backbone interact. energy: -0.254 local terms energy: -372.737904 where: bonds (distance) C4'-P energy: -70.663 bonds (distance) P-C4' energy: -71.936 flat angles C4'-P-C4' energy: -87.023 flat angles P-C4'-P energy: -51.204 tors. eta vs tors. theta energy: -91.911 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: 9 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -898.865917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.865917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.865917 (E_RNA) where: Base-Base interactions energy: -597.610 where: short stacking energy: -254.652 Base-Backbone interact. energy: -0.976 local terms energy: -300.279481 where: bonds (distance) C4'-P energy: -62.387 bonds (distance) P-C4' energy: -69.146 flat angles C4'-P-C4' energy: -64.922 flat angles P-C4'-P energy: -39.661 tors. eta vs tors. theta energy: -64.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -844.765601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.765601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.765601 (E_RNA) where: Base-Base interactions energy: -551.454 where: short stacking energy: -240.467 Base-Backbone interact. energy: 0.540 local terms energy: -293.851397 where: bonds (distance) C4'-P energy: -58.190 bonds (distance) P-C4' energy: -72.741 flat angles C4'-P-C4' energy: -75.136 flat angles P-C4'-P energy: -43.564 tors. eta vs tors. theta energy: -44.220 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: 9, replica: 8 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -546.679988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.679988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.679988 (E_RNA) where: Base-Base interactions energy: -300.482 where: short stacking energy: -154.659 Base-Backbone interact. energy: -1.868 local terms energy: -244.330005 where: bonds (distance) C4'-P energy: -66.328 bonds (distance) P-C4' energy: -74.602 flat angles C4'-P-C4' energy: -59.638 flat angles P-C4'-P energy: -24.119 tors. eta vs tors. theta energy: -19.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -308.063024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.063024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.063024 (E_RNA) where: Base-Base interactions energy: -114.658 where: short stacking energy: -108.987 Base-Backbone interact. energy: 10.887 local terms energy: -204.291474 where: bonds (distance) C4'-P energy: -54.315 bonds (distance) P-C4' energy: -70.943 flat angles C4'-P-C4' energy: -55.431 flat angles P-C4'-P energy: -30.902 tors. eta vs tors. theta energy: 7.300 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: 393 Temperature: 0.900000 Total energy: -1397.512738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.512738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.512738 (E_RNA) where: Base-Base interactions energy: -963.807 where: short stacking energy: -422.993 Base-Backbone interact. energy: -0.525 local terms energy: -433.180620 where: bonds (distance) C4'-P energy: -77.223 bonds (distance) P-C4' energy: -76.250 flat angles C4'-P-C4' energy: -95.024 flat angles P-C4'-P energy: -59.755 tors. eta vs tors. theta energy: -124.929 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: 4 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1351.110570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.110570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.110570 (E_RNA) where: Base-Base interactions energy: -928.589 where: short stacking energy: -397.352 Base-Backbone interact. energy: -1.730 local terms energy: -420.790735 where: bonds (distance) C4'-P energy: -71.989 bonds (distance) P-C4' energy: -88.573 flat angles C4'-P-C4' energy: -91.797 flat angles P-C4'-P energy: -53.516 tors. eta vs tors. theta energy: -114.916 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: 2 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1282.099612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.099612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.099612 (E_RNA) where: Base-Base interactions energy: -881.430 where: short stacking energy: -385.946 Base-Backbone interact. energy: 0.211 local terms energy: -400.880394 where: bonds (distance) C4'-P energy: -80.716 bonds (distance) P-C4' energy: -71.111 flat angles C4'-P-C4' energy: -85.415 flat angles P-C4'-P energy: -54.765 tors. eta vs tors. theta energy: -108.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1233.804126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.804126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.804126 (E_RNA) where: Base-Base interactions energy: -845.985 where: short stacking energy: -364.568 Base-Backbone interact. energy: 0.695 local terms energy: -388.514093 where: bonds (distance) C4'-P energy: -75.360 bonds (distance) P-C4' energy: -70.490 flat angles C4'-P-C4' energy: -84.567 flat angles P-C4'-P energy: -55.221 tors. eta vs tors. theta energy: -102.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1164.679655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.679655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.679655 (E_RNA) where: Base-Base interactions energy: -790.910 where: short stacking energy: -340.254 Base-Backbone interact. energy: 0.746 local terms energy: -374.515701 where: bonds (distance) C4'-P energy: -66.826 bonds (distance) P-C4' energy: -81.338 flat angles C4'-P-C4' energy: -81.813 flat angles P-C4'-P energy: -48.458 tors. eta vs tors. theta energy: -96.080 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: 7 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1045.586449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.586449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.586449 (E_RNA) where: Base-Base interactions energy: -710.390 where: short stacking energy: -296.637 Base-Backbone interact. energy: 0.147 local terms energy: -335.343174 where: bonds (distance) C4'-P energy: -69.875 bonds (distance) P-C4' energy: -66.632 flat angles C4'-P-C4' energy: -78.858 flat angles P-C4'-P energy: -35.549 tors. eta vs tors. theta energy: -84.429 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: 9 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -908.434841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.434841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.434841 (E_RNA) where: Base-Base interactions energy: -576.420 where: short stacking energy: -254.361 Base-Backbone interact. energy: -1.953 local terms energy: -330.062128 where: bonds (distance) C4'-P energy: -72.220 bonds (distance) P-C4' energy: -70.370 flat angles C4'-P-C4' energy: -76.936 flat angles P-C4'-P energy: -47.573 tors. eta vs tors. theta energy: -62.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -848.010051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.010051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.010051 (E_RNA) where: Base-Base interactions energy: -550.848 where: short stacking energy: -249.488 Base-Backbone interact. energy: -1.766 local terms energy: -295.395790 where: bonds (distance) C4'-P energy: -63.562 bonds (distance) P-C4' energy: -51.598 flat angles C4'-P-C4' energy: -71.842 flat angles P-C4'-P energy: -52.033 tors. eta vs tors. theta energy: -56.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -509.243540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.243540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.243540 (E_RNA) where: Base-Base interactions energy: -279.633 where: short stacking energy: -145.034 Base-Backbone interact. energy: -0.727 local terms energy: -228.883454 where: bonds (distance) C4'-P energy: -63.054 bonds (distance) P-C4' energy: -59.606 flat angles C4'-P-C4' energy: -61.108 flat angles P-C4'-P energy: -35.045 tors. eta vs tors. theta energy: -10.070 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: 10, replica: 1 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -342.311020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.311020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.311020 (E_RNA) where: Base-Base interactions energy: -146.664 where: short stacking energy: -93.396 Base-Backbone interact. energy: -2.470 local terms energy: -193.176618 where: bonds (distance) C4'-P energy: -49.072 bonds (distance) P-C4' energy: -76.967 flat angles C4'-P-C4' energy: -46.164 flat angles P-C4'-P energy: -37.621 tors. eta vs tors. theta energy: 16.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1412.059374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.059374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.059374 (E_RNA) where: Base-Base interactions energy: -976.504 where: short stacking energy: -421.079 Base-Backbone interact. energy: 1.702 local terms energy: -437.257259 where: bonds (distance) C4'-P energy: -81.145 bonds (distance) P-C4' energy: -82.723 flat angles C4'-P-C4' energy: -93.197 flat angles P-C4'-P energy: -55.734 tors. eta vs tors. theta energy: -124.458 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: 4 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1359.165195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.165195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.165195 (E_RNA) where: Base-Base interactions energy: -958.780 where: short stacking energy: -411.473 Base-Backbone interact. energy: 0.157 local terms energy: -400.541660 where: bonds (distance) C4'-P energy: -74.374 bonds (distance) P-C4' energy: -70.306 flat angles C4'-P-C4' energy: -86.279 flat angles P-C4'-P energy: -51.944 tors. eta vs tors. theta energy: -117.639 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: 2 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1290.388029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.388029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.388029 (E_RNA) where: Base-Base interactions energy: -893.204 where: short stacking energy: -385.105 Base-Backbone interact. energy: -1.371 local terms energy: -395.813126 where: bonds (distance) C4'-P energy: -68.867 bonds (distance) P-C4' energy: -71.070 flat angles C4'-P-C4' energy: -87.332 flat angles P-C4'-P energy: -54.573 tors. eta vs tors. theta energy: -113.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1285.204603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.204603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.204603 (E_RNA) where: Base-Base interactions energy: -881.067 where: short stacking energy: -383.666 Base-Backbone interact. energy: 0.625 local terms energy: -404.762588 where: bonds (distance) C4'-P energy: -75.394 bonds (distance) P-C4' energy: -74.287 flat angles C4'-P-C4' energy: -80.770 flat angles P-C4'-P energy: -60.260 tors. eta vs tors. theta energy: -114.052 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: 10 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1191.283715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.283715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.283715 (E_RNA) where: Base-Base interactions energy: -823.937 where: short stacking energy: -356.210 Base-Backbone interact. energy: -1.811 local terms energy: -365.535029 where: bonds (distance) C4'-P energy: -67.234 bonds (distance) P-C4' energy: -59.868 flat angles C4'-P-C4' energy: -90.385 flat angles P-C4'-P energy: -43.422 tors. eta vs tors. theta energy: -104.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1056.615188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.615188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.615188 (E_RNA) where: Base-Base interactions energy: -713.168 where: short stacking energy: -300.985 Base-Backbone interact. energy: -1.331 local terms energy: -342.116250 where: bonds (distance) C4'-P energy: -78.621 bonds (distance) P-C4' energy: -57.362 flat angles C4'-P-C4' energy: -81.045 flat angles P-C4'-P energy: -49.764 tors. eta vs tors. theta energy: -75.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -902.055416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.055416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.055416 (E_RNA) where: Base-Base interactions energy: -586.690 where: short stacking energy: -259.442 Base-Backbone interact. energy: -0.071 local terms energy: -315.294549 where: bonds (distance) C4'-P energy: -77.635 bonds (distance) P-C4' energy: -59.966 flat angles C4'-P-C4' energy: -76.745 flat angles P-C4'-P energy: -44.246 tors. eta vs tors. theta energy: -56.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -841.519848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.519848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.519848 (E_RNA) where: Base-Base interactions energy: -549.091 where: short stacking energy: -246.357 Base-Backbone interact. energy: 1.030 local terms energy: -293.458966 where: bonds (distance) C4'-P energy: -65.091 bonds (distance) P-C4' energy: -56.407 flat angles C4'-P-C4' energy: -72.999 flat angles P-C4'-P energy: -45.777 tors. eta vs tors. theta energy: -53.185 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: 394 Temperature: 1.300000 Total energy: -346.199905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.199905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.199905 (E_RNA) where: Base-Base interactions energy: -136.544 where: short stacking energy: -109.460 Base-Backbone interact. energy: -1.552 local terms energy: -208.104564 where: bonds (distance) C4'-P energy: -64.060 bonds (distance) P-C4' energy: -44.946 flat angles C4'-P-C4' energy: -62.029 flat angles P-C4'-P energy: -33.087 tors. eta vs tors. theta energy: -3.983 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: 394 Temperature: 1.350000 Total energy: -449.210223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.210223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.210223 (E_RNA) where: Base-Base interactions energy: -225.121 where: short stacking energy: -138.228 Base-Backbone interact. energy: -2.252 local terms energy: -221.836846 where: bonds (distance) C4'-P energy: -64.351 bonds (distance) P-C4' energy: -67.463 flat angles C4'-P-C4' energy: -52.334 flat angles P-C4'-P energy: -33.225 tors. eta vs tors. theta energy: -4.464 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: 395 Temperature: 0.900000 Total energy: -1418.462400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.462400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.462400 (E_RNA) where: Base-Base interactions energy: -963.410 where: short stacking energy: -434.185 Base-Backbone interact. energy: -2.718 local terms energy: -452.334481 where: bonds (distance) C4'-P energy: -86.662 bonds (distance) P-C4' energy: -73.027 flat angles C4'-P-C4' energy: -92.261 flat angles P-C4'-P energy: -67.209 tors. eta vs tors. theta energy: -133.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1369.953014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.953014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.953014 (E_RNA) where: Base-Base interactions energy: -943.471 where: short stacking energy: -405.413 Base-Backbone interact. energy: -0.878 local terms energy: -425.603463 where: bonds (distance) C4'-P energy: -67.440 bonds (distance) P-C4' energy: -82.092 flat angles C4'-P-C4' energy: -92.628 flat angles P-C4'-P energy: -54.178 tors. eta vs tors. theta energy: -129.265 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: 2 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1299.188688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.188688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.188688 (E_RNA) where: Base-Base interactions energy: -871.710 where: short stacking energy: -389.738 Base-Backbone interact. energy: -0.722 local terms energy: -426.757317 where: bonds (distance) C4'-P energy: -74.397 bonds (distance) P-C4' energy: -84.048 flat angles C4'-P-C4' energy: -94.246 flat angles P-C4'-P energy: -53.802 tors. eta vs tors. theta energy: -120.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1238.620259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.620259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.620259 (E_RNA) where: Base-Base interactions energy: -871.227 where: short stacking energy: -379.467 Base-Backbone interact. energy: 2.704 local terms energy: -370.097742 where: bonds (distance) C4'-P energy: -64.181 bonds (distance) P-C4' energy: -60.695 flat angles C4'-P-C4' energy: -86.967 flat angles P-C4'-P energy: -53.553 tors. eta vs tors. theta energy: -104.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1208.237877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.237877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.237877 (E_RNA) where: Base-Base interactions energy: -830.284 where: short stacking energy: -358.572 Base-Backbone interact. energy: -0.489 local terms energy: -377.465213 where: bonds (distance) C4'-P energy: -55.677 bonds (distance) P-C4' energy: -64.819 flat angles C4'-P-C4' energy: -87.191 flat angles P-C4'-P energy: -61.684 tors. eta vs tors. theta energy: -108.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1068.441968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.441968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.441968 (E_RNA) where: Base-Base interactions energy: -703.230 where: short stacking energy: -309.223 Base-Backbone interact. energy: -1.474 local terms energy: -363.737446 where: bonds (distance) C4'-P energy: -71.243 bonds (distance) P-C4' energy: -79.126 flat angles C4'-P-C4' energy: -79.861 flat angles P-C4'-P energy: -46.842 tors. eta vs tors. theta energy: -86.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -891.597423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.597423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.597423 (E_RNA) where: Base-Base interactions energy: -577.893 where: short stacking energy: -262.949 Base-Backbone interact. energy: -0.684 local terms energy: -313.020372 where: bonds (distance) C4'-P energy: -60.154 bonds (distance) P-C4' energy: -65.546 flat angles C4'-P-C4' energy: -78.983 flat angles P-C4'-P energy: -44.813 tors. eta vs tors. theta energy: -63.525 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: 5 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -782.459884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.459884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.459884 (E_RNA) where: Base-Base interactions energy: -483.360 where: short stacking energy: -230.327 Base-Backbone interact. energy: -0.267 local terms energy: -298.832225 where: bonds (distance) C4'-P energy: -71.511 bonds (distance) P-C4' energy: -57.353 flat angles C4'-P-C4' energy: -74.395 flat angles P-C4'-P energy: -42.906 tors. eta vs tors. theta energy: -52.667 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: 1 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -353.166100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.166100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.166100 (E_RNA) where: Base-Base interactions energy: -151.396 where: short stacking energy: -122.649 Base-Backbone interact. energy: -0.418 local terms energy: -201.352689 where: bonds (distance) C4'-P energy: -53.952 bonds (distance) P-C4' energy: -69.952 flat angles C4'-P-C4' energy: -50.144 flat angles P-C4'-P energy: -21.036 tors. eta vs tors. theta energy: -6.269 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: 8 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -400.638938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.638938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.638938 (E_RNA) where: Base-Base interactions energy: -187.360 where: short stacking energy: -102.674 Base-Backbone interact. energy: -1.496 local terms energy: -211.782616 where: bonds (distance) C4'-P energy: -54.246 bonds (distance) P-C4' energy: -74.022 flat angles C4'-P-C4' energy: -60.528 flat angles P-C4'-P energy: -27.282 tors. eta vs tors. theta energy: 4.295 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: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1380.028906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.028906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.028906 (E_RNA) where: Base-Base interactions energy: -958.763 where: short stacking energy: -418.112 Base-Backbone interact. energy: -0.231 local terms energy: -421.035122 where: bonds (distance) C4'-P energy: -76.934 bonds (distance) P-C4' energy: -76.225 flat angles C4'-P-C4' energy: -88.847 flat angles P-C4'-P energy: -58.868 tors. eta vs tors. theta energy: -120.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1380.146885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.146885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.146885 (E_RNA) where: Base-Base interactions energy: -947.105 where: short stacking energy: -412.115 Base-Backbone interact. energy: -1.084 local terms energy: -431.957766 where: bonds (distance) C4'-P energy: -79.233 bonds (distance) P-C4' energy: -73.049 flat angles C4'-P-C4' energy: -93.610 flat angles P-C4'-P energy: -62.107 tors. eta vs tors. theta energy: -123.959 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: 3, replica: 2 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1279.622378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.622378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.622378 (E_RNA) where: Base-Base interactions energy: -868.145 where: short stacking energy: -388.302 Base-Backbone interact. energy: 1.098 local terms energy: -412.575451 where: bonds (distance) C4'-P energy: -73.742 bonds (distance) P-C4' energy: -77.362 flat angles C4'-P-C4' energy: -85.810 flat angles P-C4'-P energy: -59.532 tors. eta vs tors. theta energy: -116.129 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: 4, replica: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1229.452627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.452627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.452627 (E_RNA) where: Base-Base interactions energy: -838.467 where: short stacking energy: -371.749 Base-Backbone interact. energy: -0.653 local terms energy: -390.333180 where: bonds (distance) C4'-P energy: -80.750 bonds (distance) P-C4' energy: -72.230 flat angles C4'-P-C4' energy: -72.559 flat angles P-C4'-P energy: -51.781 tors. eta vs tors. theta energy: -113.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1225.105428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.105428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.105428 (E_RNA) where: Base-Base interactions energy: -862.442 where: short stacking energy: -373.216 Base-Backbone interact. energy: 0.004 local terms energy: -362.667428 where: bonds (distance) C4'-P energy: -58.644 bonds (distance) P-C4' energy: -63.114 flat angles C4'-P-C4' energy: -86.886 flat angles P-C4'-P energy: -54.860 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: 6, replica: 7 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1076.437419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.437419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.437419 (E_RNA) where: Base-Base interactions energy: -702.756 where: short stacking energy: -308.264 Base-Backbone interact. energy: -0.779 local terms energy: -372.901863 where: bonds (distance) C4'-P energy: -70.613 bonds (distance) P-C4' energy: -77.435 flat angles C4'-P-C4' energy: -72.730 flat angles P-C4'-P energy: -55.538 tors. eta vs tors. theta energy: -96.587 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: 9 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -997.658589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.658589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.658589 (E_RNA) where: Base-Base interactions energy: -666.683 where: short stacking energy: -298.908 Base-Backbone interact. energy: 0.595 local terms energy: -331.571044 where: bonds (distance) C4'-P energy: -60.644 bonds (distance) P-C4' energy: -74.355 flat angles C4'-P-C4' energy: -73.999 flat angles P-C4'-P energy: -53.657 tors. eta vs tors. theta energy: -68.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -742.830253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.830253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.830253 (E_RNA) where: Base-Base interactions energy: -448.870 where: short stacking energy: -211.879 Base-Backbone interact. energy: -1.560 local terms energy: -292.400605 where: bonds (distance) C4'-P energy: -67.006 bonds (distance) P-C4' energy: -62.503 flat angles C4'-P-C4' energy: -62.733 flat angles P-C4'-P energy: -55.335 tors. eta vs tors. theta energy: -44.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -428.894183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.894183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.894183 (E_RNA) where: Base-Base interactions energy: -198.630 where: short stacking energy: -131.818 Base-Backbone interact. energy: -0.002 local terms energy: -230.262036 where: bonds (distance) C4'-P energy: -65.970 bonds (distance) P-C4' energy: -66.135 flat angles C4'-P-C4' energy: -46.407 flat angles P-C4'-P energy: -42.930 tors. eta vs tors. theta energy: -8.821 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: 10, replica: 1 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -361.586321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.586321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.586321 (E_RNA) where: Base-Base interactions energy: -144.668 where: short stacking energy: -122.791 Base-Backbone interact. energy: 1.255 local terms energy: -218.173814 where: bonds (distance) C4'-P energy: -58.176 bonds (distance) P-C4' energy: -80.317 flat angles C4'-P-C4' energy: -52.285 flat angles P-C4'-P energy: -23.114 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1369.344289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.344289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.344289 (E_RNA) where: Base-Base interactions energy: -948.815 where: short stacking energy: -405.733 Base-Backbone interact. energy: -0.698 local terms energy: -419.830826 where: bonds (distance) C4'-P energy: -80.280 bonds (distance) P-C4' energy: -68.358 flat angles C4'-P-C4' energy: -92.370 flat angles P-C4'-P energy: -62.422 tors. eta vs tors. theta energy: -116.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1386.634344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.634344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.634344 (E_RNA) where: Base-Base interactions energy: -950.954 where: short stacking energy: -403.633 Base-Backbone interact. energy: -0.622 local terms energy: -435.057712 where: bonds (distance) C4'-P energy: -80.192 bonds (distance) P-C4' energy: -75.594 flat angles C4'-P-C4' energy: -97.343 flat angles P-C4'-P energy: -62.675 tors. eta vs tors. theta energy: -119.254 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: 2 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1289.832751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.832751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.832751 (E_RNA) where: Base-Base interactions energy: -889.087 where: short stacking energy: -397.813 Base-Backbone interact. energy: 0.279 local terms energy: -401.024265 where: bonds (distance) C4'-P energy: -68.843 bonds (distance) P-C4' energy: -74.954 flat angles C4'-P-C4' energy: -83.690 flat angles P-C4'-P energy: -60.312 tors. eta vs tors. theta energy: -113.225 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: 10 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1242.986669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.986669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.986669 (E_RNA) where: Base-Base interactions energy: -841.929 where: short stacking energy: -354.469 Base-Backbone interact. energy: -1.308 local terms energy: -399.750074 where: bonds (distance) C4'-P energy: -73.263 bonds (distance) P-C4' energy: -66.793 flat angles C4'-P-C4' energy: -82.814 flat angles P-C4'-P energy: -65.700 tors. eta vs tors. theta energy: -111.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1197.991491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.991491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.991491 (E_RNA) where: Base-Base interactions energy: -843.623 where: short stacking energy: -354.461 Base-Backbone interact. energy: -0.843 local terms energy: -353.525787 where: bonds (distance) C4'-P energy: -58.133 bonds (distance) P-C4' energy: -75.748 flat angles C4'-P-C4' energy: -77.460 flat angles P-C4'-P energy: -41.532 tors. eta vs tors. theta energy: -100.652 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: 7 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1088.144462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.144462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.144462 (E_RNA) where: Base-Base interactions energy: -738.794 where: short stacking energy: -318.050 Base-Backbone interact. energy: 0.132 local terms energy: -349.481848 where: bonds (distance) C4'-P energy: -62.798 bonds (distance) P-C4' energy: -68.291 flat angles C4'-P-C4' energy: -81.046 flat angles P-C4'-P energy: -54.189 tors. eta vs tors. theta energy: -83.159 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: 7, replica: 9 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -960.679172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.679172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.679172 (E_RNA) where: Base-Base interactions energy: -618.547 where: short stacking energy: -273.182 Base-Backbone interact. energy: -0.407 local terms energy: -341.725107 where: bonds (distance) C4'-P energy: -73.133 bonds (distance) P-C4' energy: -74.728 flat angles C4'-P-C4' energy: -82.211 flat angles P-C4'-P energy: -48.975 tors. eta vs tors. theta energy: -62.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -783.125815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.125815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.125815 (E_RNA) where: Base-Base interactions energy: -484.555 where: short stacking energy: -208.704 Base-Backbone interact. energy: -1.829 local terms energy: -296.741773 where: bonds (distance) C4'-P energy: -64.578 bonds (distance) P-C4' energy: -66.844 flat angles C4'-P-C4' energy: -75.586 flat angles P-C4'-P energy: -38.128 tors. eta vs tors. theta energy: -51.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -411.498983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.498983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.498983 (E_RNA) where: Base-Base interactions energy: -173.128 where: short stacking energy: -106.092 Base-Backbone interact. energy: -2.235 local terms energy: -236.135508 where: bonds (distance) C4'-P energy: -71.452 bonds (distance) P-C4' energy: -70.494 flat angles C4'-P-C4' energy: -54.166 flat angles P-C4'-P energy: -43.418 tors. eta vs tors. theta energy: 3.395 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: 1 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -375.493032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.493032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.493032 (E_RNA) where: Base-Base interactions energy: -153.721 where: short stacking energy: -102.704 Base-Backbone interact. energy: 5.250 local terms energy: -227.022278 where: bonds (distance) C4'-P energy: -54.793 bonds (distance) P-C4' energy: -69.354 flat angles C4'-P-C4' energy: -66.490 flat angles P-C4'-P energy: -46.376 tors. eta vs tors. theta energy: 9.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1409.265766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.265766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.265766 (E_RNA) where: Base-Base interactions energy: -988.114 where: short stacking energy: -425.089 Base-Backbone interact. energy: -1.213 local terms energy: -419.938283 where: bonds (distance) C4'-P energy: -70.915 bonds (distance) P-C4' energy: -78.883 flat angles C4'-P-C4' energy: -87.546 flat angles P-C4'-P energy: -59.443 tors. eta vs tors. theta energy: -123.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1363.375206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.375206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.375206 (E_RNA) where: Base-Base interactions energy: -934.315 where: short stacking energy: -421.787 Base-Backbone interact. energy: -1.452 local terms energy: -427.607930 where: bonds (distance) C4'-P energy: -69.795 bonds (distance) P-C4' energy: -79.199 flat angles C4'-P-C4' energy: -92.140 flat angles P-C4'-P energy: -65.674 tors. eta vs tors. theta energy: -120.800 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: 2 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1279.413361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.413361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.413361 (E_RNA) where: Base-Base interactions energy: -878.945 where: short stacking energy: -388.141 Base-Backbone interact. energy: -2.934 local terms energy: -397.534290 where: bonds (distance) C4'-P energy: -75.519 bonds (distance) P-C4' energy: -73.581 flat angles C4'-P-C4' energy: -84.673 flat angles P-C4'-P energy: -56.614 tors. eta vs tors. theta energy: -107.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1244.750528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.750528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.750528 (E_RNA) where: Base-Base interactions energy: -847.968 where: short stacking energy: -373.478 Base-Backbone interact. energy: 0.591 local terms energy: -397.374094 where: bonds (distance) C4'-P energy: -69.774 bonds (distance) P-C4' energy: -77.371 flat angles C4'-P-C4' energy: -81.915 flat angles P-C4'-P energy: -48.957 tors. eta vs tors. theta energy: -119.357 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: 5, replica: 3 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1184.949987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.949987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.949987 (E_RNA) where: Base-Base interactions energy: -812.474 where: short stacking energy: -364.339 Base-Backbone interact. energy: -0.461 local terms energy: -372.015296 where: bonds (distance) C4'-P energy: -62.898 bonds (distance) P-C4' energy: -79.715 flat angles C4'-P-C4' energy: -76.472 flat angles P-C4'-P energy: -50.477 tors. eta vs tors. theta energy: -102.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1067.186989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.186989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.186989 (E_RNA) where: Base-Base interactions energy: -730.094 where: short stacking energy: -312.493 Base-Backbone interact. energy: 0.746 local terms energy: -337.838752 where: bonds (distance) C4'-P energy: -64.820 bonds (distance) P-C4' energy: -75.061 flat angles C4'-P-C4' energy: -79.233 flat angles P-C4'-P energy: -38.752 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: 7, replica: 9 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -943.219186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.219186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.219186 (E_RNA) where: Base-Base interactions energy: -624.359 where: short stacking energy: -295.143 Base-Backbone interact. energy: -2.373 local terms energy: -316.486551 where: bonds (distance) C4'-P energy: -48.767 bonds (distance) P-C4' energy: -70.247 flat angles C4'-P-C4' energy: -66.096 flat angles P-C4'-P energy: -49.263 tors. eta vs tors. theta energy: -82.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -773.273891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.273891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.273891 (E_RNA) where: Base-Base interactions energy: -488.012 where: short stacking energy: -219.378 Base-Backbone interact. energy: 0.728 local terms energy: -285.989956 where: bonds (distance) C4'-P energy: -63.386 bonds (distance) P-C4' energy: -73.046 flat angles C4'-P-C4' energy: -69.775 flat angles P-C4'-P energy: -32.619 tors. eta vs tors. theta energy: -47.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -503.253486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.253486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.253486 (E_RNA) where: Base-Base interactions energy: -256.716 where: short stacking energy: -157.002 Base-Backbone interact. energy: -0.111 local terms energy: -246.426343 where: bonds (distance) C4'-P energy: -78.284 bonds (distance) P-C4' energy: -62.327 flat angles C4'-P-C4' energy: -59.426 flat angles P-C4'-P energy: -39.297 tors. eta vs tors. theta energy: -7.091 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: 398 Temperature: 1.350000 Total energy: -391.714645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.714645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.714645 (E_RNA) where: Base-Base interactions energy: -160.847 where: short stacking energy: -105.524 Base-Backbone interact. energy: 2.404 local terms energy: -233.271743 where: bonds (distance) C4'-P energy: -71.729 bonds (distance) P-C4' energy: -64.996 flat angles C4'-P-C4' energy: -62.357 flat angles P-C4'-P energy: -37.157 tors. eta vs tors. theta energy: 2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1402.683191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.683191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.683191 (E_RNA) where: Base-Base interactions energy: -973.704 where: short stacking energy: -409.047 Base-Backbone interact. energy: -2.940 local terms energy: -426.038727 where: bonds (distance) C4'-P energy: -73.281 bonds (distance) P-C4' energy: -80.217 flat angles C4'-P-C4' energy: -87.738 flat angles P-C4'-P energy: -59.915 tors. eta vs tors. theta energy: -124.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1368.668769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.668769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.668769 (E_RNA) where: Base-Base interactions energy: -942.540 where: short stacking energy: -420.200 Base-Backbone interact. energy: -0.742 local terms energy: -425.387159 where: bonds (distance) C4'-P energy: -73.996 bonds (distance) P-C4' energy: -83.642 flat angles C4'-P-C4' energy: -86.064 flat angles P-C4'-P energy: -59.477 tors. eta vs tors. theta energy: -122.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1286.591786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.591786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.591786 (E_RNA) where: Base-Base interactions energy: -914.207 where: short stacking energy: -382.920 Base-Backbone interact. energy: -0.402 local terms energy: -371.982799 where: bonds (distance) C4'-P energy: -56.162 bonds (distance) P-C4' energy: -75.371 flat angles C4'-P-C4' energy: -81.430 flat angles P-C4'-P energy: -47.781 tors. eta vs tors. theta energy: -111.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1226.001610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.001610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.001610 (E_RNA) where: Base-Base interactions energy: -821.229 where: short stacking energy: -375.533 Base-Backbone interact. energy: -0.710 local terms energy: -404.062782 where: bonds (distance) C4'-P energy: -75.361 bonds (distance) P-C4' energy: -77.632 flat angles C4'-P-C4' energy: -78.657 flat angles P-C4'-P energy: -61.501 tors. eta vs tors. theta energy: -110.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1232.469247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.469247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.469247 (E_RNA) where: Base-Base interactions energy: -850.789 where: short stacking energy: -378.006 Base-Backbone interact. energy: -2.057 local terms energy: -379.623883 where: bonds (distance) C4'-P energy: -69.846 bonds (distance) P-C4' energy: -69.032 flat angles C4'-P-C4' energy: -81.479 flat angles P-C4'-P energy: -51.157 tors. eta vs tors. theta energy: -108.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1066.989932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.989932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.989932 (E_RNA) where: Base-Base interactions energy: -729.788 where: short stacking energy: -337.977 Base-Backbone interact. energy: -2.437 local terms energy: -334.765067 where: bonds (distance) C4'-P energy: -61.712 bonds (distance) P-C4' energy: -74.335 flat angles C4'-P-C4' energy: -66.622 flat angles P-C4'-P energy: -49.119 tors. eta vs tors. theta energy: -82.977 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: 9 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -917.912991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.912991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.912991 (E_RNA) where: Base-Base interactions energy: -618.502 where: short stacking energy: -261.485 Base-Backbone interact. energy: 0.610 local terms energy: -300.020780 where: bonds (distance) C4'-P energy: -55.405 bonds (distance) P-C4' energy: -70.057 flat angles C4'-P-C4' energy: -81.003 flat angles P-C4'-P energy: -32.168 tors. eta vs tors. theta energy: -61.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -744.370398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.370398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.370398 (E_RNA) where: Base-Base interactions energy: -465.173 where: short stacking energy: -226.209 Base-Backbone interact. energy: -0.702 local terms energy: -278.495562 where: bonds (distance) C4'-P energy: -66.412 bonds (distance) P-C4' energy: -71.649 flat angles C4'-P-C4' energy: -80.075 flat angles P-C4'-P energy: -25.604 tors. eta vs tors. theta energy: -34.755 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: 8 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -412.234565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.234565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.234565 (E_RNA) where: Base-Base interactions energy: -195.507 where: short stacking energy: -124.969 Base-Backbone interact. energy: 1.350 local terms energy: -218.077822 where: bonds (distance) C4'-P energy: -64.714 bonds (distance) P-C4' energy: -57.755 flat angles C4'-P-C4' energy: -51.976 flat angles P-C4'-P energy: -36.909 tors. eta vs tors. theta energy: -6.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -392.305681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.305681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.305681 (E_RNA) where: Base-Base interactions energy: -180.473 where: short stacking energy: -102.522 Base-Backbone interact. energy: 0.817 local terms energy: -212.650114 where: bonds (distance) C4'-P energy: -65.070 bonds (distance) P-C4' energy: -59.006 flat angles C4'-P-C4' energy: -63.020 flat angles P-C4'-P energy: -35.495 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: 1, replica: 4 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1392.974011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.974011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.974011 (E_RNA) where: Base-Base interactions energy: -953.785 where: short stacking energy: -427.191 Base-Backbone interact. energy: -0.936 local terms energy: -438.253250 where: bonds (distance) C4'-P energy: -79.189 bonds (distance) P-C4' energy: -77.252 flat angles C4'-P-C4' energy: -94.962 flat angles P-C4'-P energy: -61.528 tors. eta vs tors. theta energy: -125.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1365.901387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.901387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.901387 (E_RNA) where: Base-Base interactions energy: -932.855 where: short stacking energy: -404.380 Base-Backbone interact. energy: -0.929 local terms energy: -432.117080 where: bonds (distance) C4'-P energy: -78.569 bonds (distance) P-C4' energy: -81.185 flat angles C4'-P-C4' energy: -85.900 flat angles P-C4'-P energy: -58.607 tors. eta vs tors. theta energy: -127.857 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: 10 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1269.345463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.345463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.345463 (E_RNA) where: Base-Base interactions energy: -865.019 where: short stacking energy: -402.443 Base-Backbone interact. energy: -0.345 local terms energy: -403.980795 where: bonds (distance) C4'-P energy: -69.565 bonds (distance) P-C4' energy: -78.917 flat angles C4'-P-C4' energy: -88.684 flat angles P-C4'-P energy: -52.842 tors. eta vs tors. theta energy: -113.973 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: 400 Temperature: 1.050000 Total energy: -1240.027016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.027016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.027016 (E_RNA) where: Base-Base interactions energy: -855.112 where: short stacking energy: -355.435 Base-Backbone interact. energy: -1.872 local terms energy: -383.042899 where: bonds (distance) C4'-P energy: -72.024 bonds (distance) P-C4' energy: -79.008 flat angles C4'-P-C4' energy: -82.056 flat angles P-C4'-P energy: -43.828 tors. eta vs tors. theta energy: -106.126 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: 3 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1206.444100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.444100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.444100 (E_RNA) where: Base-Base interactions energy: -822.410 where: short stacking energy: -347.737 Base-Backbone interact. energy: -0.008 local terms energy: -384.026177 where: bonds (distance) C4'-P energy: -71.783 bonds (distance) P-C4' energy: -76.759 flat angles C4'-P-C4' energy: -81.829 flat angles P-C4'-P energy: -51.234 tors. eta vs tors. theta energy: -102.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1080.703891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.703891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.703891 (E_RNA) where: Base-Base interactions energy: -733.278 where: short stacking energy: -318.756 Base-Backbone interact. energy: -3.798 local terms energy: -343.628056 where: bonds (distance) C4'-P energy: -56.565 bonds (distance) P-C4' energy: -68.068 flat angles C4'-P-C4' energy: -74.972 flat angles P-C4'-P energy: -53.687 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: 7, replica: 9 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -936.565407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.565407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.565407 (E_RNA) where: Base-Base interactions energy: -611.782 where: short stacking energy: -260.923 Base-Backbone interact. energy: -0.728 local terms energy: -324.055492 where: bonds (distance) C4'-P energy: -65.524 bonds (distance) P-C4' energy: -68.714 flat angles C4'-P-C4' energy: -68.848 flat angles P-C4'-P energy: -53.628 tors. eta vs tors. theta energy: -67.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -750.128383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.128383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.128383 (E_RNA) where: Base-Base interactions energy: -438.211 where: short stacking energy: -235.793 Base-Backbone interact. energy: -0.627 local terms energy: -311.291259 where: bonds (distance) C4'-P energy: -79.438 bonds (distance) P-C4' energy: -66.781 flat angles C4'-P-C4' energy: -70.763 flat angles P-C4'-P energy: -33.175 tors. eta vs tors. theta energy: -61.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -415.824883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.824883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.824883 (E_RNA) where: Base-Base interactions energy: -187.474 where: short stacking energy: -127.373 Base-Backbone interact. energy: -0.312 local terms energy: -228.038934 where: bonds (distance) C4'-P energy: -73.461 bonds (distance) P-C4' energy: -63.653 flat angles C4'-P-C4' energy: -60.741 flat angles P-C4'-P energy: -31.336 tors. eta vs tors. theta energy: 1.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -362.465273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.465273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.465273 (E_RNA) where: Base-Base interactions energy: -162.826 where: short stacking energy: -85.063 Base-Backbone interact. energy: 2.331 local terms energy: -201.969595 where: bonds (distance) C4'-P energy: -65.104 bonds (distance) P-C4' energy: -72.052 flat angles C4'-P-C4' energy: -50.238 flat angles P-C4'-P energy: -36.259 tors. eta vs tors. theta energy: 21.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1402.363938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.363938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.363938 (E_RNA) where: Base-Base interactions energy: -979.421 where: short stacking energy: -423.176 Base-Backbone interact. energy: -2.236 local terms energy: -420.706510 where: bonds (distance) C4'-P energy: -67.295 bonds (distance) P-C4' energy: -77.848 flat angles C4'-P-C4' energy: -96.398 flat angles P-C4'-P energy: -57.920 tors. eta vs tors. theta energy: -121.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1400.677287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.677287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.677287 (E_RNA) where: Base-Base interactions energy: -967.556 where: short stacking energy: -421.599 Base-Backbone interact. energy: -0.301 local terms energy: -432.820387 where: bonds (distance) C4'-P energy: -76.784 bonds (distance) P-C4' energy: -80.618 flat angles C4'-P-C4' energy: -89.892 flat angles P-C4'-P energy: -56.392 tors. eta vs tors. theta energy: -129.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1288.410459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.410459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.410459 (E_RNA) where: Base-Base interactions energy: -879.921 where: short stacking energy: -392.314 Base-Backbone interact. energy: -0.652 local terms energy: -407.837425 where: bonds (distance) C4'-P energy: -72.393 bonds (distance) P-C4' energy: -72.764 flat angles C4'-P-C4' energy: -92.703 flat angles P-C4'-P energy: -52.077 tors. eta vs tors. theta energy: -117.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1245.967051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.967051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.967051 (E_RNA) where: Base-Base interactions energy: -858.134 where: short stacking energy: -388.236 Base-Backbone interact. energy: 1.725 local terms energy: -389.557767 where: bonds (distance) C4'-P energy: -77.394 bonds (distance) P-C4' energy: -75.861 flat angles C4'-P-C4' energy: -78.917 flat angles P-C4'-P energy: -41.253 tors. eta vs tors. theta energy: -116.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1198.457613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.457613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.457613 (E_RNA) where: Base-Base interactions energy: -831.925 where: short stacking energy: -344.166 Base-Backbone interact. energy: 0.856 local terms energy: -367.387913 where: bonds (distance) C4'-P energy: -53.235 bonds (distance) P-C4' energy: -75.714 flat angles C4'-P-C4' energy: -74.321 flat angles P-C4'-P energy: -65.012 tors. eta vs tors. theta energy: -99.106 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: 7 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1007.043157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.043157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.043157 (E_RNA) where: Base-Base interactions energy: -662.135 where: short stacking energy: -297.487 Base-Backbone interact. energy: -1.199 local terms energy: -343.708834 where: bonds (distance) C4'-P energy: -58.868 bonds (distance) P-C4' energy: -76.854 flat angles C4'-P-C4' energy: -74.782 flat angles P-C4'-P energy: -54.847 tors. eta vs tors. theta energy: -78.358 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: 9 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -965.642301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.642301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.642301 (E_RNA) where: Base-Base interactions energy: -639.352 where: short stacking energy: -290.516 Base-Backbone interact. energy: -1.657 local terms energy: -324.632988 where: bonds (distance) C4'-P energy: -64.619 bonds (distance) P-C4' energy: -80.436 flat angles C4'-P-C4' energy: -67.432 flat angles P-C4'-P energy: -38.034 tors. eta vs tors. theta energy: -74.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -696.617372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.617372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.617372 (E_RNA) where: Base-Base interactions energy: -423.725 where: short stacking energy: -198.265 Base-Backbone interact. energy: -0.336 local terms energy: -272.556670 where: bonds (distance) C4'-P energy: -52.130 bonds (distance) P-C4' energy: -68.952 flat angles C4'-P-C4' energy: -67.000 flat angles P-C4'-P energy: -46.411 tors. eta vs tors. theta energy: -38.064 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: 401 Temperature: 1.300000 Total energy: -433.569592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.569592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.569592 (E_RNA) where: Base-Base interactions energy: -206.367 where: short stacking energy: -128.156 Base-Backbone interact. energy: 3.668 local terms energy: -230.870658 where: bonds (distance) C4'-P energy: -71.700 bonds (distance) P-C4' energy: -73.027 flat angles C4'-P-C4' energy: -58.609 flat angles P-C4'-P energy: -25.240 tors. eta vs tors. theta energy: -2.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -355.203187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.203187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.203187 (E_RNA) where: Base-Base interactions energy: -168.945 where: short stacking energy: -110.617 Base-Backbone interact. energy: 0.086 local terms energy: -186.343635 where: bonds (distance) C4'-P energy: -48.229 bonds (distance) P-C4' energy: -60.850 flat angles C4'-P-C4' energy: -54.014 flat angles P-C4'-P energy: -26.136 tors. eta vs tors. theta energy: 2.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1424.763717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.763717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.763717 (E_RNA) where: Base-Base interactions energy: -983.100 where: short stacking energy: -419.487 Base-Backbone interact. energy: 0.970 local terms energy: -442.633534 where: bonds (distance) C4'-P energy: -81.994 bonds (distance) P-C4' energy: -78.001 flat angles C4'-P-C4' energy: -91.333 flat angles P-C4'-P energy: -67.956 tors. eta vs tors. theta energy: -123.350 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: 402 Temperature: 0.950000 Total energy: -1395.713926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.713926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.713926 (E_RNA) where: Base-Base interactions energy: -955.365 where: short stacking energy: -399.419 Base-Backbone interact. energy: -1.058 local terms energy: -439.291145 where: bonds (distance) C4'-P energy: -91.112 bonds (distance) P-C4' energy: -75.715 flat angles C4'-P-C4' energy: -94.420 flat angles P-C4'-P energy: -53.982 tors. eta vs tors. theta energy: -124.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1270.889587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.889587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.889587 (E_RNA) where: Base-Base interactions energy: -883.824 where: short stacking energy: -360.460 Base-Backbone interact. energy: -2.420 local terms energy: -384.646261 where: bonds (distance) C4'-P energy: -68.670 bonds (distance) P-C4' energy: -86.844 flat angles C4'-P-C4' energy: -85.631 flat angles P-C4'-P energy: -37.091 tors. eta vs tors. theta energy: -106.411 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: 10 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1241.331687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.331687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.331687 (E_RNA) where: Base-Base interactions energy: -868.328 where: short stacking energy: -382.100 Base-Backbone interact. energy: 2.680 local terms energy: -375.683382 where: bonds (distance) C4'-P energy: -66.695 bonds (distance) P-C4' energy: -61.545 flat angles C4'-P-C4' energy: -85.208 flat angles P-C4'-P energy: -47.126 tors. eta vs tors. theta energy: -115.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1234.106095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.106095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.106095 (E_RNA) where: Base-Base interactions energy: -858.003 where: short stacking energy: -357.432 Base-Backbone interact. energy: -3.538 local terms energy: -372.564242 where: bonds (distance) C4'-P energy: -66.747 bonds (distance) P-C4' energy: -76.495 flat angles C4'-P-C4' energy: -77.956 flat angles P-C4'-P energy: -48.442 tors. eta vs tors. theta energy: -102.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1080.110525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.110525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.110525 (E_RNA) where: Base-Base interactions energy: -721.881 where: short stacking energy: -306.200 Base-Backbone interact. energy: -0.214 local terms energy: -358.014834 where: bonds (distance) C4'-P energy: -67.996 bonds (distance) P-C4' energy: -70.937 flat angles C4'-P-C4' energy: -82.253 flat angles P-C4'-P energy: -42.492 tors. eta vs tors. theta energy: -94.337 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: 9 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1049.465417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.465417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.465417 (E_RNA) where: Base-Base interactions energy: -730.453 where: short stacking energy: -314.610 Base-Backbone interact. energy: -1.547 local terms energy: -317.465308 where: bonds (distance) C4'-P energy: -64.641 bonds (distance) P-C4' energy: -62.483 flat angles C4'-P-C4' energy: -74.695 flat angles P-C4'-P energy: -31.728 tors. eta vs tors. theta energy: -83.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -709.860402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.860402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.860402 (E_RNA) where: Base-Base interactions energy: -437.225 where: short stacking energy: -212.236 Base-Backbone interact. energy: -0.799 local terms energy: -271.836477 where: bonds (distance) C4'-P energy: -58.970 bonds (distance) P-C4' energy: -60.765 flat angles C4'-P-C4' energy: -72.830 flat angles P-C4'-P energy: -51.392 tors. eta vs tors. theta energy: -27.880 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: 402 Temperature: 1.300000 Total energy: -476.591699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.591699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.591699 (E_RNA) where: Base-Base interactions energy: -237.353 where: short stacking energy: -144.898 Base-Backbone interact. energy: 1.573 local terms energy: -240.812063 where: bonds (distance) C4'-P energy: -58.487 bonds (distance) P-C4' energy: -65.618 flat angles C4'-P-C4' energy: -64.756 flat angles P-C4'-P energy: -45.126 tors. eta vs tors. theta energy: -6.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -373.504469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.504469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.504469 (E_RNA) where: Base-Base interactions energy: -162.792 where: short stacking energy: -121.729 Base-Backbone interact. energy: 3.844 local terms energy: -214.556354 where: bonds (distance) C4'-P energy: -60.333 bonds (distance) P-C4' energy: -70.088 flat angles C4'-P-C4' energy: -53.951 flat angles P-C4'-P energy: -24.797 tors. eta vs tors. theta energy: -5.388 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: 4 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1397.016522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.016522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.016522 (E_RNA) where: Base-Base interactions energy: -958.593 where: short stacking energy: -409.281 Base-Backbone interact. energy: -1.250 local terms energy: -437.174026 where: bonds (distance) C4'-P energy: -79.032 bonds (distance) P-C4' energy: -79.365 flat angles C4'-P-C4' energy: -93.098 flat angles P-C4'-P energy: -63.084 tors. eta vs tors. theta energy: -122.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1399.097714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.097714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.097714 (E_RNA) where: Base-Base interactions energy: -978.253 where: short stacking energy: -430.248 Base-Backbone interact. energy: -1.874 local terms energy: -418.970693 where: bonds (distance) C4'-P energy: -72.183 bonds (distance) P-C4' energy: -73.853 flat angles C4'-P-C4' energy: -89.492 flat angles P-C4'-P energy: -56.535 tors. eta vs tors. theta energy: -126.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1244.568236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.568236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.568236 (E_RNA) where: Base-Base interactions energy: -857.205 where: short stacking energy: -376.333 Base-Backbone interact. energy: -2.092 local terms energy: -385.271659 where: bonds (distance) C4'-P energy: -66.679 bonds (distance) P-C4' energy: -77.408 flat angles C4'-P-C4' energy: -82.164 flat angles P-C4'-P energy: -51.371 tors. eta vs tors. theta energy: -107.650 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: 10 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1246.973045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.973045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.973045 (E_RNA) where: Base-Base interactions energy: -849.986 where: short stacking energy: -380.410 Base-Backbone interact. energy: -1.350 local terms energy: -395.637844 where: bonds (distance) C4'-P energy: -72.082 bonds (distance) P-C4' energy: -75.551 flat angles C4'-P-C4' energy: -79.049 flat angles P-C4'-P energy: -55.193 tors. eta vs tors. theta energy: -113.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1227.148408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.148408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.148408 (E_RNA) where: Base-Base interactions energy: -857.372 where: short stacking energy: -376.608 Base-Backbone interact. energy: -1.161 local terms energy: -368.614668 where: bonds (distance) C4'-P energy: -65.606 bonds (distance) P-C4' energy: -68.774 flat angles C4'-P-C4' energy: -81.419 flat angles P-C4'-P energy: -44.436 tors. eta vs tors. theta energy: -108.380 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: 9 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1060.244227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.244227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.244227 (E_RNA) where: Base-Base interactions energy: -713.324 where: short stacking energy: -331.346 Base-Backbone interact. energy: 2.237 local terms energy: -349.158059 where: bonds (distance) C4'-P energy: -64.887 bonds (distance) P-C4' energy: -71.951 flat angles C4'-P-C4' energy: -78.448 flat angles P-C4'-P energy: -46.378 tors. eta vs tors. theta energy: -87.494 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: 7 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1063.271991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.271991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.271991 (E_RNA) where: Base-Base interactions energy: -720.750 where: short stacking energy: -333.732 Base-Backbone interact. energy: 2.338 local terms energy: -344.860276 where: bonds (distance) C4'-P energy: -60.165 bonds (distance) P-C4' energy: -74.016 flat angles C4'-P-C4' energy: -70.987 flat angles P-C4'-P energy: -49.340 tors. eta vs tors. theta energy: -90.351 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: 5 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -697.191481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.191481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.191481 (E_RNA) where: Base-Base interactions energy: -416.922 where: short stacking energy: -196.297 Base-Backbone interact. energy: 0.327 local terms energy: -280.595565 where: bonds (distance) C4'-P energy: -72.867 bonds (distance) P-C4' energy: -75.067 flat angles C4'-P-C4' energy: -61.472 flat angles P-C4'-P energy: -37.988 tors. eta vs tors. theta energy: -33.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -433.395851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.395851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.395851 (E_RNA) where: Base-Base interactions energy: -211.055 where: short stacking energy: -111.212 Base-Backbone interact. energy: 1.815 local terms energy: -224.156100 where: bonds (distance) C4'-P energy: -61.399 bonds (distance) P-C4' energy: -67.846 flat angles C4'-P-C4' energy: -57.744 flat angles P-C4'-P energy: -38.877 tors. eta vs tors. theta energy: 1.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -422.484771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.484771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.484771 (E_RNA) where: Base-Base interactions energy: -197.487 where: short stacking energy: -135.998 Base-Backbone interact. energy: 1.553 local terms energy: -226.550875 where: bonds (distance) C4'-P energy: -60.006 bonds (distance) P-C4' energy: -67.730 flat angles C4'-P-C4' energy: -55.497 flat angles P-C4'-P energy: -26.937 tors. eta vs tors. theta energy: -16.380 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: 1, replica: 4 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1391.055380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.055380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.055380 (E_RNA) where: Base-Base interactions energy: -951.386 where: short stacking energy: -414.565 Base-Backbone interact. energy: -2.411 local terms energy: -437.258845 where: bonds (distance) C4'-P energy: -81.506 bonds (distance) P-C4' energy: -78.745 flat angles C4'-P-C4' energy: -85.667 flat angles P-C4'-P energy: -68.877 tors. eta vs tors. theta energy: -122.464 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: 404 Temperature: 0.950000 Total energy: -1393.223991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.223991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.223991 (E_RNA) where: Base-Base interactions energy: -986.053 where: short stacking energy: -434.879 Base-Backbone interact. energy: -0.096 local terms energy: -407.074898 where: bonds (distance) C4'-P energy: -70.467 bonds (distance) P-C4' energy: -63.243 flat angles C4'-P-C4' energy: -89.228 flat angles P-C4'-P energy: -61.179 tors. eta vs tors. theta energy: -122.957 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: 2 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1273.632922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.632922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.632922 (E_RNA) where: Base-Base interactions energy: -866.001 where: short stacking energy: -390.451 Base-Backbone interact. energy: -2.822 local terms energy: -404.809699 where: bonds (distance) C4'-P energy: -72.640 bonds (distance) P-C4' energy: -76.269 flat angles C4'-P-C4' energy: -80.704 flat angles P-C4'-P energy: -62.077 tors. eta vs tors. theta energy: -113.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1212.211100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.211100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.211100 (E_RNA) where: Base-Base interactions energy: -831.241 where: short stacking energy: -351.799 Base-Backbone interact. energy: -0.524 local terms energy: -380.446496 where: bonds (distance) C4'-P energy: -69.950 bonds (distance) P-C4' energy: -71.775 flat angles C4'-P-C4' energy: -85.380 flat angles P-C4'-P energy: -52.196 tors. eta vs tors. theta energy: -101.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1269.418315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.418315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.418315 (E_RNA) where: Base-Base interactions energy: -868.755 where: short stacking energy: -379.485 Base-Backbone interact. energy: -2.566 local terms energy: -398.097220 where: bonds (distance) C4'-P energy: -74.426 bonds (distance) P-C4' energy: -72.561 flat angles C4'-P-C4' energy: -86.472 flat angles P-C4'-P energy: -55.295 tors. eta vs tors. theta energy: -109.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1076.814604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.814604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.814604 (E_RNA) where: Base-Base interactions energy: -697.780 where: short stacking energy: -310.483 Base-Backbone interact. energy: -0.489 local terms energy: -378.545778 where: bonds (distance) C4'-P energy: -77.208 bonds (distance) P-C4' energy: -71.708 flat angles C4'-P-C4' energy: -79.027 flat angles P-C4'-P energy: -62.013 tors. eta vs tors. theta energy: -88.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -970.269478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.269478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.269478 (E_RNA) where: Base-Base interactions energy: -664.254 where: short stacking energy: -287.780 Base-Backbone interact. energy: 2.227 local terms energy: -308.242329 where: bonds (distance) C4'-P energy: -64.999 bonds (distance) P-C4' energy: -56.923 flat angles C4'-P-C4' energy: -78.896 flat angles P-C4'-P energy: -29.676 tors. eta vs tors. theta energy: -77.749 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: 5 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -682.609403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.609403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.609403 (E_RNA) where: Base-Base interactions energy: -411.805 where: short stacking energy: -189.170 Base-Backbone interact. energy: -0.406 local terms energy: -270.398056 where: bonds (distance) C4'-P energy: -62.363 bonds (distance) P-C4' energy: -68.801 flat angles C4'-P-C4' energy: -70.248 flat angles P-C4'-P energy: -38.683 tors. eta vs tors. theta energy: -30.303 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: 1 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -466.043430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.043430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.043430 (E_RNA) where: Base-Base interactions energy: -236.532 where: short stacking energy: -136.225 Base-Backbone interact. energy: -0.930 local terms energy: -228.581790 where: bonds (distance) C4'-P energy: -66.103 bonds (distance) P-C4' energy: -72.075 flat angles C4'-P-C4' energy: -55.985 flat angles P-C4'-P energy: -24.108 tors. eta vs tors. theta energy: -10.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -440.429397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.429397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.429397 (E_RNA) where: Base-Base interactions energy: -212.983 where: short stacking energy: -118.484 Base-Backbone interact. energy: -0.564 local terms energy: -226.882655 where: bonds (distance) C4'-P energy: -61.478 bonds (distance) P-C4' energy: -62.333 flat angles C4'-P-C4' energy: -66.451 flat angles P-C4'-P energy: -33.072 tors. eta vs tors. theta energy: -3.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1405.681999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.681999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.681999 (E_RNA) where: Base-Base interactions energy: -970.393 where: short stacking energy: -413.610 Base-Backbone interact. energy: -1.738 local terms energy: -433.551854 where: bonds (distance) C4'-P energy: -74.039 bonds (distance) P-C4' energy: -79.364 flat angles C4'-P-C4' energy: -89.250 flat angles P-C4'-P energy: -68.350 tors. eta vs tors. theta energy: -122.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1389.313831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.313831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.313831 (E_RNA) where: Base-Base interactions energy: -976.339 where: short stacking energy: -409.535 Base-Backbone interact. energy: -2.242 local terms energy: -410.732806 where: bonds (distance) C4'-P energy: -70.732 bonds (distance) P-C4' energy: -65.313 flat angles C4'-P-C4' energy: -92.213 flat angles P-C4'-P energy: -63.832 tors. eta vs tors. theta energy: -118.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1263.333054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.333054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.333054 (E_RNA) where: Base-Base interactions energy: -864.532 where: short stacking energy: -383.676 Base-Backbone interact. energy: -2.178 local terms energy: -396.622490 where: bonds (distance) C4'-P energy: -72.335 bonds (distance) P-C4' energy: -75.929 flat angles C4'-P-C4' energy: -86.186 flat angles P-C4'-P energy: -46.402 tors. eta vs tors. theta energy: -115.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1194.551832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.551832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.551832 (E_RNA) where: Base-Base interactions energy: -801.247 where: short stacking energy: -367.924 Base-Backbone interact. energy: 1.470 local terms energy: -394.775402 where: bonds (distance) C4'-P energy: -79.481 bonds (distance) P-C4' energy: -69.297 flat angles C4'-P-C4' energy: -75.355 flat angles P-C4'-P energy: -58.889 tors. eta vs tors. theta energy: -111.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1217.079380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.079380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.079380 (E_RNA) where: Base-Base interactions energy: -841.585 where: short stacking energy: -373.198 Base-Backbone interact. energy: -1.383 local terms energy: -374.111932 where: bonds (distance) C4'-P energy: -68.584 bonds (distance) P-C4' energy: -68.772 flat angles C4'-P-C4' energy: -75.325 flat angles P-C4'-P energy: -55.546 tors. eta vs tors. theta energy: -105.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1074.320159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.320159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.320159 (E_RNA) where: Base-Base interactions energy: -733.129 where: short stacking energy: -325.933 Base-Backbone interact. energy: -0.952 local terms energy: -340.238987 where: bonds (distance) C4'-P energy: -62.963 bonds (distance) P-C4' energy: -72.363 flat angles C4'-P-C4' energy: -69.405 flat angles P-C4'-P energy: -51.259 tors. eta vs tors. theta energy: -84.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1020.123340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.123340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.123340 (E_RNA) where: Base-Base interactions energy: -691.157 where: short stacking energy: -288.684 Base-Backbone interact. energy: -1.156 local terms energy: -327.809689 where: bonds (distance) C4'-P energy: -71.579 bonds (distance) P-C4' energy: -56.859 flat angles C4'-P-C4' energy: -76.276 flat angles P-C4'-P energy: -45.960 tors. eta vs tors. theta energy: -77.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -754.789139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.789139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.789139 (E_RNA) where: Base-Base interactions energy: -461.615 where: short stacking energy: -224.280 Base-Backbone interact. energy: 0.247 local terms energy: -293.420498 where: bonds (distance) C4'-P energy: -72.126 bonds (distance) P-C4' energy: -65.303 flat angles C4'-P-C4' energy: -70.063 flat angles P-C4'-P energy: -47.757 tors. eta vs tors. theta energy: -38.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -434.656347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.656347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.656347 (E_RNA) where: Base-Base interactions energy: -193.826 where: short stacking energy: -108.042 Base-Backbone interact. energy: -1.928 local terms energy: -238.902595 where: bonds (distance) C4'-P energy: -62.478 bonds (distance) P-C4' energy: -63.549 flat angles C4'-P-C4' energy: -66.324 flat angles P-C4'-P energy: -40.176 tors. eta vs tors. theta energy: -6.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -418.865891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.865891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.865891 (E_RNA) where: Base-Base interactions energy: -196.232 where: short stacking energy: -131.708 Base-Backbone interact. energy: -0.038 local terms energy: -222.595821 where: bonds (distance) C4'-P energy: -61.937 bonds (distance) P-C4' energy: -67.158 flat angles C4'-P-C4' energy: -63.121 flat angles P-C4'-P energy: -28.059 tors. eta vs tors. theta energy: -2.320 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: 4 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1409.594626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.594626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.594626 (E_RNA) where: Base-Base interactions energy: -957.715 where: short stacking energy: -403.612 Base-Backbone interact. energy: -1.660 local terms energy: -450.220224 where: bonds (distance) C4'-P energy: -83.782 bonds (distance) P-C4' energy: -84.523 flat angles C4'-P-C4' energy: -92.961 flat angles P-C4'-P energy: -63.146 tors. eta vs tors. theta energy: -125.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1382.715011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.715011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.715011 (E_RNA) where: Base-Base interactions energy: -977.514 where: short stacking energy: -397.234 Base-Backbone interact. energy: 3.674 local terms energy: -408.874769 where: bonds (distance) C4'-P energy: -81.236 bonds (distance) P-C4' energy: -76.647 flat angles C4'-P-C4' energy: -86.075 flat angles P-C4'-P energy: -57.284 tors. eta vs tors. theta energy: -107.633 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: 10 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1244.382301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.382301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.382301 (E_RNA) where: Base-Base interactions energy: -839.599 where: short stacking energy: -365.088 Base-Backbone interact. energy: 2.280 local terms energy: -407.062916 where: bonds (distance) C4'-P energy: -80.405 bonds (distance) P-C4' energy: -65.991 flat angles C4'-P-C4' energy: -91.814 flat angles P-C4'-P energy: -62.392 tors. eta vs tors. theta energy: -106.461 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: 2 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1265.594499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.594499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.594499 (E_RNA) where: Base-Base interactions energy: -871.130 where: short stacking energy: -377.240 Base-Backbone interact. energy: 1.519 local terms energy: -395.983569 where: bonds (distance) C4'-P energy: -66.592 bonds (distance) P-C4' energy: -85.349 flat angles C4'-P-C4' energy: -84.350 flat angles P-C4'-P energy: -54.388 tors. eta vs tors. theta energy: -105.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1114.651426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.651426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.651426 (E_RNA) where: Base-Base interactions energy: -725.139 where: short stacking energy: -328.338 Base-Backbone interact. energy: -1.384 local terms energy: -388.127802 where: bonds (distance) C4'-P energy: -82.390 bonds (distance) P-C4' energy: -67.150 flat angles C4'-P-C4' energy: -92.263 flat angles P-C4'-P energy: -56.759 tors. eta vs tors. theta energy: -89.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1195.055669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.055669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.055669 (E_RNA) where: Base-Base interactions energy: -838.861 where: short stacking energy: -370.552 Base-Backbone interact. energy: 1.262 local terms energy: -357.457361 where: bonds (distance) C4'-P energy: -61.784 bonds (distance) P-C4' energy: -64.097 flat angles C4'-P-C4' energy: -81.610 flat angles P-C4'-P energy: -37.943 tors. eta vs tors. theta energy: -112.024 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: 7 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1065.994898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.994898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.994898 (E_RNA) where: Base-Base interactions energy: -715.029 where: short stacking energy: -335.804 Base-Backbone interact. energy: 0.108 local terms energy: -351.073762 where: bonds (distance) C4'-P energy: -60.864 bonds (distance) P-C4' energy: -65.903 flat angles C4'-P-C4' energy: -82.501 flat angles P-C4'-P energy: -49.248 tors. eta vs tors. theta energy: -92.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -730.950519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.950519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.950519 (E_RNA) where: Base-Base interactions energy: -436.780 where: short stacking energy: -222.834 Base-Backbone interact. energy: -0.809 local terms energy: -293.361393 where: bonds (distance) C4'-P energy: -65.431 bonds (distance) P-C4' energy: -72.551 flat angles C4'-P-C4' energy: -67.652 flat angles P-C4'-P energy: -35.625 tors. eta vs tors. theta energy: -52.101 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: 406 Temperature: 1.300000 Total energy: -445.755201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.755201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.755201 (E_RNA) where: Base-Base interactions energy: -235.861 where: short stacking energy: -141.278 Base-Backbone interact. energy: -1.196 local terms energy: -208.697761 where: bonds (distance) C4'-P energy: -60.067 bonds (distance) P-C4' energy: -65.584 flat angles C4'-P-C4' energy: -53.858 flat angles P-C4'-P energy: -30.510 tors. eta vs tors. theta energy: 1.322 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: 1 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -397.815780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.815780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.815780 (E_RNA) where: Base-Base interactions energy: -181.585 where: short stacking energy: -127.516 Base-Backbone interact. energy: -0.876 local terms energy: -215.354758 where: bonds (distance) C4'-P energy: -54.687 bonds (distance) P-C4' energy: -54.123 flat angles C4'-P-C4' energy: -72.576 flat angles P-C4'-P energy: -35.628 tors. eta vs tors. theta energy: 1.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1397.019966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.019966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.019966 (E_RNA) where: Base-Base interactions energy: -965.531 where: short stacking energy: -405.971 Base-Backbone interact. energy: -0.836 local terms energy: -430.653413 where: bonds (distance) C4'-P energy: -76.811 bonds (distance) P-C4' energy: -78.092 flat angles C4'-P-C4' energy: -90.672 flat angles P-C4'-P energy: -61.234 tors. eta vs tors. theta energy: -123.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1367.096937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.096937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.096937 (E_RNA) where: Base-Base interactions energy: -945.533 where: short stacking energy: -403.873 Base-Backbone interact. energy: -1.984 local terms energy: -419.579794 where: bonds (distance) C4'-P energy: -76.721 bonds (distance) P-C4' energy: -87.072 flat angles C4'-P-C4' energy: -79.628 flat angles P-C4'-P energy: -62.419 tors. eta vs tors. theta energy: -113.740 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: 10 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1286.396593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.396593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.396593 (E_RNA) where: Base-Base interactions energy: -860.198 where: short stacking energy: -371.076 Base-Backbone interact. energy: -1.364 local terms energy: -424.834673 where: bonds (distance) C4'-P energy: -76.277 bonds (distance) P-C4' energy: -80.174 flat angles C4'-P-C4' energy: -91.318 flat angles P-C4'-P energy: -65.361 tors. eta vs tors. theta energy: -111.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1255.488669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.488669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.488669 (E_RNA) where: Base-Base interactions energy: -853.401 where: short stacking energy: -372.371 Base-Backbone interact. energy: 0.050 local terms energy: -402.137805 where: bonds (distance) C4'-P energy: -75.413 bonds (distance) P-C4' energy: -70.113 flat angles C4'-P-C4' energy: -83.192 flat angles P-C4'-P energy: -55.354 tors. eta vs tors. theta energy: -118.065 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: 407 Temperature: 1.100000 Total energy: -1111.573757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.573757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.573757 (E_RNA) where: Base-Base interactions energy: -744.869 where: short stacking energy: -364.726 Base-Backbone interact. energy: -1.292 local terms energy: -365.412759 where: bonds (distance) C4'-P energy: -73.951 bonds (distance) P-C4' energy: -59.325 flat angles C4'-P-C4' energy: -83.639 flat angles P-C4'-P energy: -49.038 tors. eta vs tors. theta energy: -99.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1227.593236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.593236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.593236 (E_RNA) where: Base-Base interactions energy: -855.946 where: short stacking energy: -357.313 Base-Backbone interact. energy: -0.497 local terms energy: -371.150289 where: bonds (distance) C4'-P energy: -71.991 bonds (distance) P-C4' energy: -71.851 flat angles C4'-P-C4' energy: -74.479 flat angles P-C4'-P energy: -52.422 tors. eta vs tors. theta energy: -100.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1073.453064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.453064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.453064 (E_RNA) where: Base-Base interactions energy: -722.584 where: short stacking energy: -319.560 Base-Backbone interact. energy: -0.483 local terms energy: -350.385664 where: bonds (distance) C4'-P energy: -60.326 bonds (distance) P-C4' energy: -70.188 flat angles C4'-P-C4' energy: -72.551 flat angles P-C4'-P energy: -47.908 tors. eta vs tors. theta energy: -99.412 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: 8, replica: 5 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -717.546652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.546652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.546652 (E_RNA) where: Base-Base interactions energy: -447.581 where: short stacking energy: -226.079 Base-Backbone interact. energy: -1.549 local terms energy: -268.416289 where: bonds (distance) C4'-P energy: -78.550 bonds (distance) P-C4' energy: -56.387 flat angles C4'-P-C4' energy: -63.815 flat angles P-C4'-P energy: -38.720 tors. eta vs tors. theta energy: -30.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -468.398092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.398092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.398092 (E_RNA) where: Base-Base interactions energy: -238.950 where: short stacking energy: -149.042 Base-Backbone interact. energy: -1.041 local terms energy: -228.407141 where: bonds (distance) C4'-P energy: -61.326 bonds (distance) P-C4' energy: -59.834 flat angles C4'-P-C4' energy: -62.326 flat angles P-C4'-P energy: -34.784 tors. eta vs tors. theta energy: -10.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -358.678755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.678755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.678755 (E_RNA) where: Base-Base interactions energy: -150.087 where: short stacking energy: -86.350 Base-Backbone interact. energy: 7.591 local terms energy: -216.181833 where: bonds (distance) C4'-P energy: -60.480 bonds (distance) P-C4' energy: -65.274 flat angles C4'-P-C4' energy: -53.756 flat angles P-C4'-P energy: -51.116 tors. eta vs tors. theta energy: 14.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1429.229478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.229478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.229478 (E_RNA) where: Base-Base interactions energy: -995.814 where: short stacking energy: -413.683 Base-Backbone interact. energy: -1.582 local terms energy: -431.833029 where: bonds (distance) C4'-P energy: -81.469 bonds (distance) P-C4' energy: -82.074 flat angles C4'-P-C4' energy: -92.444 flat angles P-C4'-P energy: -56.778 tors. eta vs tors. theta energy: -119.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1381.372289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.372289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.372289 (E_RNA) where: Base-Base interactions energy: -952.893 where: short stacking energy: -413.580 Base-Backbone interact. energy: -3.029 local terms energy: -425.450905 where: bonds (distance) C4'-P energy: -65.721 bonds (distance) P-C4' energy: -81.096 flat angles C4'-P-C4' energy: -89.577 flat angles P-C4'-P energy: -64.861 tors. eta vs tors. theta energy: -124.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1274.230600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.230600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.230600 (E_RNA) where: Base-Base interactions energy: -880.641 where: short stacking energy: -385.636 Base-Backbone interact. energy: -2.475 local terms energy: -391.114500 where: bonds (distance) C4'-P energy: -68.594 bonds (distance) P-C4' energy: -73.165 flat angles C4'-P-C4' energy: -81.391 flat angles P-C4'-P energy: -56.913 tors. eta vs tors. theta energy: -111.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1223.318025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.318025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.318025 (E_RNA) where: Base-Base interactions energy: -813.620 where: short stacking energy: -359.074 Base-Backbone interact. energy: -0.443 local terms energy: -409.254931 where: bonds (distance) C4'-P energy: -75.322 bonds (distance) P-C4' energy: -78.532 flat angles C4'-P-C4' energy: -80.231 flat angles P-C4'-P energy: -62.038 tors. eta vs tors. theta energy: -113.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1239.013728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.013728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.013728 (E_RNA) where: Base-Base interactions energy: -858.357 where: short stacking energy: -373.021 Base-Backbone interact. energy: 1.756 local terms energy: -382.412679 where: bonds (distance) C4'-P energy: -63.500 bonds (distance) P-C4' energy: -82.121 flat angles C4'-P-C4' energy: -80.548 flat angles P-C4'-P energy: -61.794 tors. eta vs tors. theta energy: -94.450 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: 9 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1060.073788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.073788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.073788 (E_RNA) where: Base-Base interactions energy: -719.524 where: short stacking energy: -322.524 Base-Backbone interact. energy: 0.126 local terms energy: -340.675856 where: bonds (distance) C4'-P energy: -72.061 bonds (distance) P-C4' energy: -69.459 flat angles C4'-P-C4' energy: -77.696 flat angles P-C4'-P energy: -43.387 tors. eta vs tors. theta energy: -78.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1081.145021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.145021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.145021 (E_RNA) where: Base-Base interactions energy: -736.591 where: short stacking energy: -335.348 Base-Backbone interact. energy: -2.113 local terms energy: -342.441199 where: bonds (distance) C4'-P energy: -69.729 bonds (distance) P-C4' energy: -63.263 flat angles C4'-P-C4' energy: -69.371 flat angles P-C4'-P energy: -47.620 tors. eta vs tors. theta energy: -92.457 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: 8, replica: 5 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -692.779414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.779414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.779414 (E_RNA) where: Base-Base interactions energy: -417.232 where: short stacking energy: -210.442 Base-Backbone interact. energy: 0.233 local terms energy: -275.780649 where: bonds (distance) C4'-P energy: -58.869 bonds (distance) P-C4' energy: -65.304 flat angles C4'-P-C4' energy: -78.859 flat angles P-C4'-P energy: -40.635 tors. eta vs tors. theta energy: -32.114 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: 8 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -511.590234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.590234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.590234 (E_RNA) where: Base-Base interactions energy: -272.291 where: short stacking energy: -158.274 Base-Backbone interact. energy: 4.975 local terms energy: -244.274464 where: bonds (distance) C4'-P energy: -65.863 bonds (distance) P-C4' energy: -60.993 flat angles C4'-P-C4' energy: -64.299 flat angles P-C4'-P energy: -32.349 tors. eta vs tors. theta energy: -20.771 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: 10, replica: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -353.545550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.545550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.545550 (E_RNA) where: Base-Base interactions energy: -150.727 where: short stacking energy: -93.596 Base-Backbone interact. energy: 2.965 local terms energy: -205.783320 where: bonds (distance) C4'-P energy: -58.886 bonds (distance) P-C4' energy: -75.712 flat angles C4'-P-C4' energy: -45.983 flat angles P-C4'-P energy: -32.525 tors. eta vs tors. theta energy: 7.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1397.782988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.782988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.782988 (E_RNA) where: Base-Base interactions energy: -977.333 where: short stacking energy: -413.548 Base-Backbone interact. energy: -1.349 local terms energy: -419.100850 where: bonds (distance) C4'-P energy: -63.125 bonds (distance) P-C4' energy: -84.477 flat angles C4'-P-C4' energy: -91.526 flat angles P-C4'-P energy: -57.585 tors. eta vs tors. theta energy: -122.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1384.971800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.971800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.971800 (E_RNA) where: Base-Base interactions energy: -970.381 where: short stacking energy: -421.178 Base-Backbone interact. energy: -1.673 local terms energy: -412.917104 where: bonds (distance) C4'-P energy: -66.020 bonds (distance) P-C4' energy: -76.306 flat angles C4'-P-C4' energy: -85.190 flat angles P-C4'-P energy: -63.660 tors. eta vs tors. theta energy: -121.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1267.053741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.053741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.053741 (E_RNA) where: Base-Base interactions energy: -871.708 where: short stacking energy: -406.608 Base-Backbone interact. energy: -1.073 local terms energy: -394.272579 where: bonds (distance) C4'-P energy: -78.609 bonds (distance) P-C4' energy: -76.436 flat angles C4'-P-C4' energy: -87.251 flat angles P-C4'-P energy: -37.044 tors. eta vs tors. theta energy: -114.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1210.956123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.956123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.956123 (E_RNA) where: Base-Base interactions energy: -814.719 where: short stacking energy: -336.565 Base-Backbone interact. energy: 0.064 local terms energy: -396.301851 where: bonds (distance) C4'-P energy: -73.813 bonds (distance) P-C4' energy: -74.299 flat angles C4'-P-C4' energy: -89.810 flat angles P-C4'-P energy: -63.135 tors. eta vs tors. theta energy: -95.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1240.125395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.125395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.125395 (E_RNA) where: Base-Base interactions energy: -855.037 where: short stacking energy: -366.856 Base-Backbone interact. energy: -0.560 local terms energy: -384.528094 where: bonds (distance) C4'-P energy: -59.527 bonds (distance) P-C4' energy: -75.056 flat angles C4'-P-C4' energy: -83.709 flat angles P-C4'-P energy: -53.606 tors. eta vs tors. theta energy: -112.630 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: 409 Temperature: 1.150000 Total energy: -1077.211150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.211150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.211150 (E_RNA) where: Base-Base interactions energy: -733.316 where: short stacking energy: -337.368 Base-Backbone interact. energy: -1.418 local terms energy: -342.477601 where: bonds (distance) C4'-P energy: -44.477 bonds (distance) P-C4' energy: -75.498 flat angles C4'-P-C4' energy: -84.989 flat angles P-C4'-P energy: -42.825 tors. eta vs tors. theta energy: -94.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1019.289306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.289306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.289306 (E_RNA) where: Base-Base interactions energy: -678.253 where: short stacking energy: -302.527 Base-Backbone interact. energy: -0.152 local terms energy: -340.884281 where: bonds (distance) C4'-P energy: -66.992 bonds (distance) P-C4' energy: -75.573 flat angles C4'-P-C4' energy: -65.028 flat angles P-C4'-P energy: -44.176 tors. eta vs tors. theta energy: -89.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -708.126548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.126548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.126548 (E_RNA) where: Base-Base interactions energy: -405.618 where: short stacking energy: -213.764 Base-Backbone interact. energy: -0.763 local terms energy: -301.745155 where: bonds (distance) C4'-P energy: -71.345 bonds (distance) P-C4' energy: -77.130 flat angles C4'-P-C4' energy: -71.328 flat angles P-C4'-P energy: -35.802 tors. eta vs tors. theta energy: -46.140 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: 9, replica: 8 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -482.045766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.045766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.045766 (E_RNA) where: Base-Base interactions energy: -265.216 where: short stacking energy: -172.005 Base-Backbone interact. energy: -0.391 local terms energy: -216.439431 where: bonds (distance) C4'-P energy: -51.623 bonds (distance) P-C4' energy: -51.356 flat angles C4'-P-C4' energy: -60.793 flat angles P-C4'-P energy: -35.500 tors. eta vs tors. theta energy: -17.167 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: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -307.236124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.236124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.236124 (E_RNA) where: Base-Base interactions energy: -107.364 where: short stacking energy: -105.018 Base-Backbone interact. energy: 3.367 local terms energy: -203.238689 where: bonds (distance) C4'-P energy: -66.066 bonds (distance) P-C4' energy: -65.754 flat angles C4'-P-C4' energy: -49.366 flat angles P-C4'-P energy: -35.341 tors. eta vs tors. theta energy: 13.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1422.744850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.744850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.744850 (E_RNA) where: Base-Base interactions energy: -1001.664 where: short stacking energy: -434.040 Base-Backbone interact. energy: -1.984 local terms energy: -419.096295 where: bonds (distance) C4'-P energy: -64.282 bonds (distance) P-C4' energy: -86.367 flat angles C4'-P-C4' energy: -86.624 flat angles P-C4'-P energy: -57.417 tors. eta vs tors. theta energy: -124.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1390.394039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.394039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.394039 (E_RNA) where: Base-Base interactions energy: -968.455 where: short stacking energy: -406.314 Base-Backbone interact. energy: -1.088 local terms energy: -420.851088 where: bonds (distance) C4'-P energy: -73.708 bonds (distance) P-C4' energy: -74.775 flat angles C4'-P-C4' energy: -89.951 flat angles P-C4'-P energy: -56.127 tors. eta vs tors. theta energy: -126.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1290.535713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.535713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.535713 (E_RNA) where: Base-Base interactions energy: -886.929 where: short stacking energy: -405.305 Base-Backbone interact. energy: 0.320 local terms energy: -403.926747 where: bonds (distance) C4'-P energy: -68.392 bonds (distance) P-C4' energy: -73.923 flat angles C4'-P-C4' energy: -79.364 flat angles P-C4'-P energy: -66.247 tors. eta vs tors. theta energy: -116.001 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: 10 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1213.300526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.300526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.300526 (E_RNA) where: Base-Base interactions energy: -817.003 where: short stacking energy: -351.158 Base-Backbone interact. energy: -2.391 local terms energy: -393.905723 where: bonds (distance) C4'-P energy: -75.031 bonds (distance) P-C4' energy: -74.687 flat angles C4'-P-C4' energy: -87.735 flat angles P-C4'-P energy: -56.444 tors. eta vs tors. theta energy: -100.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1251.486380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.486380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.486380 (E_RNA) where: Base-Base interactions energy: -845.865 where: short stacking energy: -368.923 Base-Backbone interact. energy: -1.640 local terms energy: -403.981693 where: bonds (distance) C4'-P energy: -72.500 bonds (distance) P-C4' energy: -76.086 flat angles C4'-P-C4' energy: -79.994 flat angles P-C4'-P energy: -63.545 tors. eta vs tors. theta energy: -111.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1117.147903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.147903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.147903 (E_RNA) where: Base-Base interactions energy: -753.385 where: short stacking energy: -345.227 Base-Backbone interact. energy: 4.110 local terms energy: -367.872761 where: bonds (distance) C4'-P energy: -71.694 bonds (distance) P-C4' energy: -60.749 flat angles C4'-P-C4' energy: -79.324 flat angles P-C4'-P energy: -55.990 tors. eta vs tors. theta energy: -100.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -995.900637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.900637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.900637 (E_RNA) where: Base-Base interactions energy: -679.640 where: short stacking energy: -309.665 Base-Backbone interact. energy: -1.128 local terms energy: -315.132452 where: bonds (distance) C4'-P energy: -67.556 bonds (distance) P-C4' energy: -54.576 flat angles C4'-P-C4' energy: -64.484 flat angles P-C4'-P energy: -47.593 tors. eta vs tors. theta energy: -80.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -709.048426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.048426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.048426 (E_RNA) where: Base-Base interactions energy: -407.998 where: short stacking energy: -200.820 Base-Backbone interact. energy: 2.212 local terms energy: -303.262106 where: bonds (distance) C4'-P energy: -67.044 bonds (distance) P-C4' energy: -77.244 flat angles C4'-P-C4' energy: -79.738 flat angles P-C4'-P energy: -40.731 tors. eta vs tors. theta energy: -38.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -442.914350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.914350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.914350 (E_RNA) where: Base-Base interactions energy: -215.388 where: short stacking energy: -110.514 Base-Backbone interact. energy: 1.301 local terms energy: -228.827368 where: bonds (distance) C4'-P energy: -69.798 bonds (distance) P-C4' energy: -61.143 flat angles C4'-P-C4' energy: -57.028 flat angles P-C4'-P energy: -46.637 tors. eta vs tors. theta energy: 5.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -341.005335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.005335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.005335 (E_RNA) where: Base-Base interactions energy: -152.500 where: short stacking energy: -109.689 Base-Backbone interact. energy: 6.259 local terms energy: -194.764530 where: bonds (distance) C4'-P energy: -61.939 bonds (distance) P-C4' energy: -62.630 flat angles C4'-P-C4' energy: -53.182 flat angles P-C4'-P energy: -30.281 tors. eta vs tors. theta energy: 13.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1434.102541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.102541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.102541 (E_RNA) where: Base-Base interactions energy: -989.720 where: short stacking energy: -423.802 Base-Backbone interact. energy: -1.461 local terms energy: -442.920785 where: bonds (distance) C4'-P energy: -82.844 bonds (distance) P-C4' energy: -87.055 flat angles C4'-P-C4' energy: -84.860 flat angles P-C4'-P energy: -64.672 tors. eta vs tors. theta energy: -123.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1390.404116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.404116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.404116 (E_RNA) where: Base-Base interactions energy: -959.195 where: short stacking energy: -429.796 Base-Backbone interact. energy: -0.077 local terms energy: -431.131782 where: bonds (distance) C4'-P energy: -79.636 bonds (distance) P-C4' energy: -70.925 flat angles C4'-P-C4' energy: -87.486 flat angles P-C4'-P energy: -68.914 tors. eta vs tors. theta energy: -124.170 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: 2 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1308.694850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.694850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.694850 (E_RNA) where: Base-Base interactions energy: -896.994 where: short stacking energy: -408.401 Base-Backbone interact. energy: -2.470 local terms energy: -409.230177 where: bonds (distance) C4'-P energy: -77.875 bonds (distance) P-C4' energy: -79.075 flat angles C4'-P-C4' energy: -85.501 flat angles P-C4'-P energy: -55.138 tors. eta vs tors. theta energy: -111.641 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: 3 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1256.895143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.895143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.895143 (E_RNA) where: Base-Base interactions energy: -870.131 where: short stacking energy: -376.259 Base-Backbone interact. energy: 0.552 local terms energy: -387.315878 where: bonds (distance) C4'-P energy: -71.760 bonds (distance) P-C4' energy: -80.068 flat angles C4'-P-C4' energy: -77.270 flat angles P-C4'-P energy: -53.100 tors. eta vs tors. theta energy: -105.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1179.547397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.547397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.547397 (E_RNA) where: Base-Base interactions energy: -819.790 where: short stacking energy: -349.322 Base-Backbone interact. energy: 1.707 local terms energy: -361.464100 where: bonds (distance) C4'-P energy: -64.117 bonds (distance) P-C4' energy: -71.871 flat angles C4'-P-C4' energy: -67.204 flat angles P-C4'-P energy: -53.521 tors. eta vs tors. theta energy: -104.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1114.586695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.586695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.586695 (E_RNA) where: Base-Base interactions energy: -753.640 where: short stacking energy: -324.201 Base-Backbone interact. energy: -0.638 local terms energy: -360.309126 where: bonds (distance) C4'-P energy: -60.580 bonds (distance) P-C4' energy: -72.464 flat angles C4'-P-C4' energy: -84.100 flat angles P-C4'-P energy: -40.562 tors. eta vs tors. theta energy: -102.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1027.103686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.103686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.103686 (E_RNA) where: Base-Base interactions energy: -701.183 where: short stacking energy: -313.112 Base-Backbone interact. energy: -2.273 local terms energy: -323.648459 where: bonds (distance) C4'-P energy: -67.244 bonds (distance) P-C4' energy: -71.834 flat angles C4'-P-C4' energy: -77.664 flat angles P-C4'-P energy: -22.945 tors. eta vs tors. theta energy: -83.962 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: 5 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -660.184989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.184989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.184989 (E_RNA) where: Base-Base interactions energy: -379.965 where: short stacking energy: -181.784 Base-Backbone interact. energy: 3.915 local terms energy: -284.135455 where: bonds (distance) C4'-P energy: -75.708 bonds (distance) P-C4' energy: -60.267 flat angles C4'-P-C4' energy: -65.099 flat angles P-C4'-P energy: -49.100 tors. eta vs tors. theta energy: -33.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -426.729887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.729887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.729887 (E_RNA) where: Base-Base interactions energy: -202.076 where: short stacking energy: -130.706 Base-Backbone interact. energy: -0.691 local terms energy: -223.963241 where: bonds (distance) C4'-P energy: -55.192 bonds (distance) P-C4' energy: -64.547 flat angles C4'-P-C4' energy: -76.889 flat angles P-C4'-P energy: -26.390 tors. eta vs tors. theta energy: -0.945 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: 1 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -343.041378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.041378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.041378 (E_RNA) where: Base-Base interactions energy: -127.362 where: short stacking energy: -100.455 Base-Backbone interact. energy: -1.385 local terms energy: -214.293637 where: bonds (distance) C4'-P energy: -68.173 bonds (distance) P-C4' energy: -65.867 flat angles C4'-P-C4' energy: -52.707 flat angles P-C4'-P energy: -37.281 tors. eta vs tors. theta energy: 9.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1412.447163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.447163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.447163 (E_RNA) where: Base-Base interactions energy: -983.069 where: short stacking energy: -425.213 Base-Backbone interact. energy: -2.630 local terms energy: -426.748374 where: bonds (distance) C4'-P energy: -78.605 bonds (distance) P-C4' energy: -80.441 flat angles C4'-P-C4' energy: -88.126 flat angles P-C4'-P energy: -61.325 tors. eta vs tors. theta energy: -118.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1399.822656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.822656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.822656 (E_RNA) where: Base-Base interactions energy: -963.477 where: short stacking energy: -423.433 Base-Backbone interact. energy: -1.534 local terms energy: -434.811494 where: bonds (distance) C4'-P energy: -73.179 bonds (distance) P-C4' energy: -81.874 flat angles C4'-P-C4' energy: -89.489 flat angles P-C4'-P energy: -60.792 tors. eta vs tors. theta energy: -129.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1281.657867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.657867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.657867 (E_RNA) where: Base-Base interactions energy: -893.080 where: short stacking energy: -397.719 Base-Backbone interact. energy: 0.368 local terms energy: -388.945586 where: bonds (distance) C4'-P energy: -56.999 bonds (distance) P-C4' energy: -78.291 flat angles C4'-P-C4' energy: -86.078 flat angles P-C4'-P energy: -54.038 tors. eta vs tors. theta energy: -113.539 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: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1287.029800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.029800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.029800 (E_RNA) where: Base-Base interactions energy: -886.442 where: short stacking energy: -370.633 Base-Backbone interact. energy: -1.128 local terms energy: -399.459919 where: bonds (distance) C4'-P energy: -78.421 bonds (distance) P-C4' energy: -76.113 flat angles C4'-P-C4' energy: -82.313 flat angles P-C4'-P energy: -56.468 tors. eta vs tors. theta energy: -106.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1138.671583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.671583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.671583 (E_RNA) where: Base-Base interactions energy: -766.371 where: short stacking energy: -330.216 Base-Backbone interact. energy: -1.577 local terms energy: -370.724111 where: bonds (distance) C4'-P energy: -68.151 bonds (distance) P-C4' energy: -81.719 flat angles C4'-P-C4' energy: -84.388 flat angles P-C4'-P energy: -44.935 tors. eta vs tors. theta energy: -91.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1082.931703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.931703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.931703 (E_RNA) where: Base-Base interactions energy: -730.897 where: short stacking energy: -313.119 Base-Backbone interact. energy: -3.517 local terms energy: -348.517634 where: bonds (distance) C4'-P energy: -63.190 bonds (distance) P-C4' energy: -71.716 flat angles C4'-P-C4' energy: -77.600 flat angles P-C4'-P energy: -45.125 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: 7, replica: 9 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1037.341885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.341885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.341885 (E_RNA) where: Base-Base interactions energy: -693.455 where: short stacking energy: -313.702 Base-Backbone interact. energy: 2.892 local terms energy: -346.779300 where: bonds (distance) C4'-P energy: -70.632 bonds (distance) P-C4' energy: -74.685 flat angles C4'-P-C4' energy: -79.079 flat angles P-C4'-P energy: -36.212 tors. eta vs tors. theta energy: -86.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -652.728646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.728646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.728646 (E_RNA) where: Base-Base interactions energy: -383.181 where: short stacking energy: -188.221 Base-Backbone interact. energy: 2.215 local terms energy: -271.762356 where: bonds (distance) C4'-P energy: -59.494 bonds (distance) P-C4' energy: -69.984 flat angles C4'-P-C4' energy: -57.688 flat angles P-C4'-P energy: -48.356 tors. eta vs tors. theta energy: -36.240 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: 412 Temperature: 1.300000 Total energy: -443.123552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.123552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.123552 (E_RNA) where: Base-Base interactions energy: -223.690 where: short stacking energy: -144.990 Base-Backbone interact. energy: -1.779 local terms energy: -217.654911 where: bonds (distance) C4'-P energy: -38.101 bonds (distance) P-C4' energy: -77.370 flat angles C4'-P-C4' energy: -58.262 flat angles P-C4'-P energy: -28.340 tors. eta vs tors. theta energy: -15.582 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: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -345.271917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.271917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.271917 (E_RNA) where: Base-Base interactions energy: -148.032 where: short stacking energy: -101.620 Base-Backbone interact. energy: 4.424 local terms energy: -201.663140 where: bonds (distance) C4'-P energy: -63.354 bonds (distance) P-C4' energy: -60.956 flat angles C4'-P-C4' energy: -67.696 flat angles P-C4'-P energy: -30.264 tors. eta vs tors. theta energy: 20.606 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: 1, replica: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1432.809853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.809853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.809853 (E_RNA) where: Base-Base interactions energy: -1009.041 where: short stacking energy: -414.722 Base-Backbone interact. energy: -0.528 local terms energy: -423.241032 where: bonds (distance) C4'-P energy: -83.560 bonds (distance) P-C4' energy: -76.635 flat angles C4'-P-C4' energy: -81.730 flat angles P-C4'-P energy: -58.680 tors. eta vs tors. theta energy: -122.636 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: 4 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1393.764981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.764981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.764981 (E_RNA) where: Base-Base interactions energy: -972.812 where: short stacking energy: -426.907 Base-Backbone interact. energy: -1.622 local terms energy: -419.331045 where: bonds (distance) C4'-P energy: -77.886 bonds (distance) P-C4' energy: -79.831 flat angles C4'-P-C4' energy: -77.861 flat angles P-C4'-P energy: -57.816 tors. eta vs tors. theta energy: -125.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1285.519673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.519673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.519673 (E_RNA) where: Base-Base interactions energy: -879.727 where: short stacking energy: -384.930 Base-Backbone interact. energy: -0.937 local terms energy: -404.855652 where: bonds (distance) C4'-P energy: -78.527 bonds (distance) P-C4' energy: -80.208 flat angles C4'-P-C4' energy: -84.309 flat angles P-C4'-P energy: -50.346 tors. eta vs tors. theta energy: -111.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1263.989179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.989179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.989179 (E_RNA) where: Base-Base interactions energy: -897.761 where: short stacking energy: -370.579 Base-Backbone interact. energy: -0.029 local terms energy: -366.199491 where: bonds (distance) C4'-P energy: -62.407 bonds (distance) P-C4' energy: -64.319 flat angles C4'-P-C4' energy: -79.581 flat angles P-C4'-P energy: -47.835 tors. eta vs tors. theta energy: -112.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1170.361092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.361092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.361092 (E_RNA) where: Base-Base interactions energy: -805.816 where: short stacking energy: -363.668 Base-Backbone interact. energy: 6.165 local terms energy: -370.710901 where: bonds (distance) C4'-P energy: -63.364 bonds (distance) P-C4' energy: -79.880 flat angles C4'-P-C4' energy: -74.037 flat angles P-C4'-P energy: -54.351 tors. eta vs tors. theta energy: -99.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1124.178352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.178352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.178352 (E_RNA) where: Base-Base interactions energy: -761.921 where: short stacking energy: -333.020 Base-Backbone interact. energy: -2.347 local terms energy: -359.910120 where: bonds (distance) C4'-P energy: -73.924 bonds (distance) P-C4' energy: -54.499 flat angles C4'-P-C4' energy: -81.617 flat angles P-C4'-P energy: -50.675 tors. eta vs tors. theta energy: -99.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1015.630092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.630092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.630092 (E_RNA) where: Base-Base interactions energy: -677.014 where: short stacking energy: -293.015 Base-Backbone interact. energy: -1.081 local terms energy: -337.535500 where: bonds (distance) C4'-P energy: -57.953 bonds (distance) P-C4' energy: -64.141 flat angles C4'-P-C4' energy: -78.000 flat angles P-C4'-P energy: -58.395 tors. eta vs tors. theta energy: -79.046 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: 8, replica: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -613.589150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.589150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.589150 (E_RNA) where: Base-Base interactions energy: -357.435 where: short stacking energy: -199.417 Base-Backbone interact. energy: -0.442 local terms energy: -255.712435 where: bonds (distance) C4'-P energy: -51.889 bonds (distance) P-C4' energy: -57.474 flat angles C4'-P-C4' energy: -75.236 flat angles P-C4'-P energy: -42.935 tors. eta vs tors. theta energy: -28.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -401.692566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.692566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.692566 (E_RNA) where: Base-Base interactions energy: -188.225 where: short stacking energy: -138.031 Base-Backbone interact. energy: 0.585 local terms energy: -214.052345 where: bonds (distance) C4'-P energy: -52.271 bonds (distance) P-C4' energy: -68.304 flat angles C4'-P-C4' energy: -56.114 flat angles P-C4'-P energy: -44.321 tors. eta vs tors. theta energy: 6.957 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: 10, replica: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -307.685310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.685310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.685310 (E_RNA) where: Base-Base interactions energy: -127.775 where: short stacking energy: -70.399 Base-Backbone interact. energy: -0.201 local terms energy: -179.709662 where: bonds (distance) C4'-P energy: -53.799 bonds (distance) P-C4' energy: -72.547 flat angles C4'-P-C4' energy: -46.564 flat angles P-C4'-P energy: -32.128 tors. eta vs tors. theta energy: 25.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1425.054162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.054162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.054162 (E_RNA) where: Base-Base interactions energy: -987.146 where: short stacking energy: -423.280 Base-Backbone interact. energy: -1.387 local terms energy: -436.520989 where: bonds (distance) C4'-P energy: -70.253 bonds (distance) P-C4' energy: -74.020 flat angles C4'-P-C4' energy: -93.574 flat angles P-C4'-P energy: -69.801 tors. eta vs tors. theta energy: -128.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1384.688861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.688861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.688861 (E_RNA) where: Base-Base interactions energy: -977.382 where: short stacking energy: -423.750 Base-Backbone interact. energy: -2.575 local terms energy: -404.731264 where: bonds (distance) C4'-P energy: -75.437 bonds (distance) P-C4' energy: -74.350 flat angles C4'-P-C4' energy: -76.432 flat angles P-C4'-P energy: -52.535 tors. eta vs tors. theta energy: -125.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1286.348861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.348861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.348861 (E_RNA) where: Base-Base interactions energy: -879.778 where: short stacking energy: -400.125 Base-Backbone interact. energy: -1.174 local terms energy: -405.396458 where: bonds (distance) C4'-P energy: -77.047 bonds (distance) P-C4' energy: -74.295 flat angles C4'-P-C4' energy: -87.993 flat angles P-C4'-P energy: -53.767 tors. eta vs tors. theta energy: -112.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1294.898577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.898577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.898577 (E_RNA) where: Base-Base interactions energy: -893.909 where: short stacking energy: -397.696 Base-Backbone interact. energy: 0.686 local terms energy: -401.675450 where: bonds (distance) C4'-P energy: -64.460 bonds (distance) P-C4' energy: -75.253 flat angles C4'-P-C4' energy: -90.643 flat angles P-C4'-P energy: -52.130 tors. eta vs tors. theta energy: -119.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1145.756118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.756118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.756118 (E_RNA) where: Base-Base interactions energy: -776.642 where: short stacking energy: -345.538 Base-Backbone interact. energy: 2.864 local terms energy: -371.978026 where: bonds (distance) C4'-P energy: -62.797 bonds (distance) P-C4' energy: -80.643 flat angles C4'-P-C4' energy: -78.026 flat angles P-C4'-P energy: -43.279 tors. eta vs tors. theta energy: -107.232 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: 6, replica: 10 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1186.154785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.154785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.154785 (E_RNA) where: Base-Base interactions energy: -812.151 where: short stacking energy: -364.581 Base-Backbone interact. energy: -1.204 local terms energy: -372.799786 where: bonds (distance) C4'-P energy: -56.066 bonds (distance) P-C4' energy: -76.163 flat angles C4'-P-C4' energy: -77.512 flat angles P-C4'-P energy: -58.382 tors. eta vs tors. theta energy: -104.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1001.767468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.767468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.767468 (E_RNA) where: Base-Base interactions energy: -663.300 where: short stacking energy: -296.855 Base-Backbone interact. energy: -1.969 local terms energy: -336.497929 where: bonds (distance) C4'-P energy: -63.497 bonds (distance) P-C4' energy: -71.727 flat angles C4'-P-C4' energy: -74.171 flat angles P-C4'-P energy: -48.203 tors. eta vs tors. theta energy: -78.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -639.475409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.475409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.475409 (E_RNA) where: Base-Base interactions energy: -351.272 where: short stacking energy: -193.580 Base-Backbone interact. energy: 0.124 local terms energy: -288.327216 where: bonds (distance) C4'-P energy: -62.278 bonds (distance) P-C4' energy: -73.087 flat angles C4'-P-C4' energy: -69.851 flat angles P-C4'-P energy: -46.328 tors. eta vs tors. theta energy: -36.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -347.741447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.741447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.741447 (E_RNA) where: Base-Base interactions energy: -133.169 where: short stacking energy: -113.678 Base-Backbone interact. energy: -2.971 local terms energy: -211.600895 where: bonds (distance) C4'-P energy: -66.221 bonds (distance) P-C4' energy: -70.721 flat angles C4'-P-C4' energy: -52.580 flat angles P-C4'-P energy: -40.526 tors. eta vs tors. theta energy: 18.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -300.200914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.200914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.200914 (E_RNA) where: Base-Base interactions energy: -93.969 where: short stacking energy: -92.876 Base-Backbone interact. energy: 0.296 local terms energy: -206.528234 where: bonds (distance) C4'-P energy: -54.633 bonds (distance) P-C4' energy: -71.729 flat angles C4'-P-C4' energy: -60.243 flat angles P-C4'-P energy: -30.270 tors. eta vs tors. theta energy: 10.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1422.689761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.689761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.689761 (E_RNA) where: Base-Base interactions energy: -996.355 where: short stacking energy: -422.530 Base-Backbone interact. energy: 0.027 local terms energy: -426.362289 where: bonds (distance) C4'-P energy: -78.597 bonds (distance) P-C4' energy: -90.836 flat angles C4'-P-C4' energy: -82.689 flat angles P-C4'-P energy: -51.463 tors. eta vs tors. theta energy: -122.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1381.633583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.633583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.633583 (E_RNA) where: Base-Base interactions energy: -955.685 where: short stacking energy: -416.090 Base-Backbone interact. energy: -0.594 local terms energy: -425.354605 where: bonds (distance) C4'-P energy: -76.129 bonds (distance) P-C4' energy: -75.913 flat angles C4'-P-C4' energy: -87.368 flat angles P-C4'-P energy: -61.000 tors. eta vs tors. theta energy: -124.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1292.210595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.210595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.210595 (E_RNA) where: Base-Base interactions energy: -892.118 where: short stacking energy: -407.009 Base-Backbone interact. energy: 1.222 local terms energy: -401.314675 where: bonds (distance) C4'-P energy: -70.302 bonds (distance) P-C4' energy: -69.007 flat angles C4'-P-C4' energy: -85.840 flat angles P-C4'-P energy: -60.079 tors. eta vs tors. theta energy: -116.087 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: 3 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1280.040406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.040406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.040406 (E_RNA) where: Base-Base interactions energy: -874.671 where: short stacking energy: -367.156 Base-Backbone interact. energy: -0.978 local terms energy: -404.391905 where: bonds (distance) C4'-P energy: -76.210 bonds (distance) P-C4' energy: -75.525 flat angles C4'-P-C4' energy: -81.854 flat angles P-C4'-P energy: -61.238 tors. eta vs tors. theta energy: -109.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1166.232378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.232378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.232378 (E_RNA) where: Base-Base interactions energy: -808.049 where: short stacking energy: -343.786 Base-Backbone interact. energy: -0.744 local terms energy: -357.438713 where: bonds (distance) C4'-P energy: -71.365 bonds (distance) P-C4' energy: -72.426 flat angles C4'-P-C4' energy: -79.476 flat angles P-C4'-P energy: -52.400 tors. eta vs tors. theta energy: -81.771 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: 6, replica: 10 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1204.010718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.010718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.010718 (E_RNA) where: Base-Base interactions energy: -821.833 where: short stacking energy: -342.210 Base-Backbone interact. energy: -0.549 local terms energy: -381.628609 where: bonds (distance) C4'-P energy: -66.659 bonds (distance) P-C4' energy: -70.668 flat angles C4'-P-C4' energy: -90.616 flat angles P-C4'-P energy: -53.112 tors. eta vs tors. theta energy: -100.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -955.850164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.850164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.850164 (E_RNA) where: Base-Base interactions energy: -625.627 where: short stacking energy: -249.076 Base-Backbone interact. energy: -2.452 local terms energy: -327.771665 where: bonds (distance) C4'-P energy: -68.649 bonds (distance) P-C4' energy: -69.185 flat angles C4'-P-C4' energy: -76.851 flat angles P-C4'-P energy: -42.630 tors. eta vs tors. theta energy: -70.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -683.627341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.627341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.627341 (E_RNA) where: Base-Base interactions energy: -393.812 where: short stacking energy: -205.501 Base-Backbone interact. energy: 2.864 local terms energy: -292.680091 where: bonds (distance) C4'-P energy: -56.003 bonds (distance) P-C4' energy: -82.794 flat angles C4'-P-C4' energy: -64.665 flat angles P-C4'-P energy: -40.616 tors. eta vs tors. theta energy: -48.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -333.520307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.520307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.520307 (E_RNA) where: Base-Base interactions energy: -129.510 where: short stacking energy: -94.275 Base-Backbone interact. energy: 0.587 local terms energy: -204.597245 where: bonds (distance) C4'-P energy: -60.355 bonds (distance) P-C4' energy: -63.471 flat angles C4'-P-C4' energy: -49.457 flat angles P-C4'-P energy: -36.717 tors. eta vs tors. theta energy: 5.403 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: 8 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -346.453476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.453476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.453476 (E_RNA) where: Base-Base interactions energy: -127.540 where: short stacking energy: -104.871 Base-Backbone interact. energy: 2.992 local terms energy: -221.905298 where: bonds (distance) C4'-P energy: -54.100 bonds (distance) P-C4' energy: -83.271 flat angles C4'-P-C4' energy: -56.695 flat angles P-C4'-P energy: -30.805 tors. eta vs tors. theta energy: 2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1416.910537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.910537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.910537 (E_RNA) where: Base-Base interactions energy: -983.705 where: short stacking energy: -427.385 Base-Backbone interact. energy: -1.154 local terms energy: -432.051263 where: bonds (distance) C4'-P energy: -84.262 bonds (distance) P-C4' energy: -68.497 flat angles C4'-P-C4' energy: -97.589 flat angles P-C4'-P energy: -55.570 tors. eta vs tors. theta energy: -126.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1389.808509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.808509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.808509 (E_RNA) where: Base-Base interactions energy: -953.443 where: short stacking energy: -416.248 Base-Backbone interact. energy: -2.252 local terms energy: -434.113181 where: bonds (distance) C4'-P energy: -75.547 bonds (distance) P-C4' energy: -88.680 flat angles C4'-P-C4' energy: -91.799 flat angles P-C4'-P energy: -58.022 tors. eta vs tors. theta energy: -120.065 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: 3, replica: 3 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1316.654205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.654205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.654205 (E_RNA) where: Base-Base interactions energy: -922.937 where: short stacking energy: -404.643 Base-Backbone interact. energy: -1.490 local terms energy: -392.227323 where: bonds (distance) C4'-P energy: -76.350 bonds (distance) P-C4' energy: -66.175 flat angles C4'-P-C4' energy: -86.501 flat angles P-C4'-P energy: -49.469 tors. eta vs tors. theta energy: -113.733 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: 2 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1251.430854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.430854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.430854 (E_RNA) where: Base-Base interactions energy: -880.844 where: short stacking energy: -402.760 Base-Backbone interact. energy: 2.011 local terms energy: -372.597594 where: bonds (distance) C4'-P energy: -67.657 bonds (distance) P-C4' energy: -72.955 flat angles C4'-P-C4' energy: -78.241 flat angles P-C4'-P energy: -44.742 tors. eta vs tors. theta energy: -109.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1219.355576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.355576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.355576 (E_RNA) where: Base-Base interactions energy: -847.143 where: short stacking energy: -371.154 Base-Backbone interact. energy: 0.350 local terms energy: -372.563458 where: bonds (distance) C4'-P energy: -67.655 bonds (distance) P-C4' energy: -73.909 flat angles C4'-P-C4' energy: -76.487 flat angles P-C4'-P energy: -49.293 tors. eta vs tors. theta energy: -105.219 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: 416 Temperature: 1.150000 Total energy: -1177.086756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.086756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.086756 (E_RNA) where: Base-Base interactions energy: -819.330 where: short stacking energy: -358.355 Base-Backbone interact. energy: -1.646 local terms energy: -356.111711 where: bonds (distance) C4'-P energy: -70.465 bonds (distance) P-C4' energy: -66.211 flat angles C4'-P-C4' energy: -76.334 flat angles P-C4'-P energy: -49.696 tors. eta vs tors. theta energy: -93.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -956.864002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.864002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.864002 (E_RNA) where: Base-Base interactions energy: -622.599 where: short stacking energy: -284.578 Base-Backbone interact. energy: -1.263 local terms energy: -333.002141 where: bonds (distance) C4'-P energy: -71.170 bonds (distance) P-C4' energy: -71.579 flat angles C4'-P-C4' energy: -71.037 flat angles P-C4'-P energy: -44.229 tors. eta vs tors. theta energy: -74.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -659.955341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.955341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.955341 (E_RNA) where: Base-Base interactions energy: -368.549 where: short stacking energy: -199.851 Base-Backbone interact. energy: -0.119 local terms energy: -291.287629 where: bonds (distance) C4'-P energy: -69.502 bonds (distance) P-C4' energy: -65.461 flat angles C4'-P-C4' energy: -74.834 flat angles P-C4'-P energy: -41.658 tors. eta vs tors. theta energy: -39.833 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: 416 Temperature: 1.300000 Total energy: -353.355440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.355440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.355440 (E_RNA) where: Base-Base interactions energy: -141.621 where: short stacking energy: -135.685 Base-Backbone interact. energy: 5.061 local terms energy: -216.795356 where: bonds (distance) C4'-P energy: -59.100 bonds (distance) P-C4' energy: -62.201 flat angles C4'-P-C4' energy: -51.448 flat angles P-C4'-P energy: -41.997 tors. eta vs tors. theta energy: -2.048 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: 416 Temperature: 1.350000 Total energy: -318.927752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.927752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.927752 (E_RNA) where: Base-Base interactions energy: -124.777 where: short stacking energy: -105.947 Base-Backbone interact. energy: 0.612 local terms energy: -194.763171 where: bonds (distance) C4'-P energy: -54.204 bonds (distance) P-C4' energy: -57.060 flat angles C4'-P-C4' energy: -56.625 flat angles P-C4'-P energy: -26.616 tors. eta vs tors. theta energy: -0.258 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: 1, replica: 6 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1426.757812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.757812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.757812 (E_RNA) where: Base-Base interactions energy: -986.961 where: short stacking energy: -416.155 Base-Backbone interact. energy: -3.346 local terms energy: -436.450890 where: bonds (distance) C4'-P energy: -87.003 bonds (distance) P-C4' energy: -82.478 flat angles C4'-P-C4' energy: -91.679 flat angles P-C4'-P energy: -57.241 tors. eta vs tors. theta energy: -118.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1375.019563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.019563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.019563 (E_RNA) where: Base-Base interactions energy: -961.941 where: short stacking energy: -414.399 Base-Backbone interact. energy: -1.046 local terms energy: -412.032757 where: bonds (distance) C4'-P energy: -71.928 bonds (distance) P-C4' energy: -80.104 flat angles C4'-P-C4' energy: -90.194 flat angles P-C4'-P energy: -51.101 tors. eta vs tors. theta energy: -118.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1298.012294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.012294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.012294 (E_RNA) where: Base-Base interactions energy: -885.750 where: short stacking energy: -372.050 Base-Backbone interact. energy: -3.239 local terms energy: -409.023042 where: bonds (distance) C4'-P energy: -78.748 bonds (distance) P-C4' energy: -76.564 flat angles C4'-P-C4' energy: -95.603 flat angles P-C4'-P energy: -55.849 tors. eta vs tors. theta energy: -102.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1272.415097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.415097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.415097 (E_RNA) where: Base-Base interactions energy: -888.592 where: short stacking energy: -393.836 Base-Backbone interact. energy: 0.909 local terms energy: -384.731759 where: bonds (distance) C4'-P energy: -73.256 bonds (distance) P-C4' energy: -68.639 flat angles C4'-P-C4' energy: -85.079 flat angles P-C4'-P energy: -49.212 tors. eta vs tors. theta energy: -108.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1229.931487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.931487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.931487 (E_RNA) where: Base-Base interactions energy: -851.215 where: short stacking energy: -375.252 Base-Backbone interact. energy: -2.584 local terms energy: -376.132577 where: bonds (distance) C4'-P energy: -65.841 bonds (distance) P-C4' energy: -69.718 flat angles C4'-P-C4' energy: -81.093 flat angles P-C4'-P energy: -51.108 tors. eta vs tors. theta energy: -108.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1161.277483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.277483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.277483 (E_RNA) where: Base-Base interactions energy: -793.911 where: short stacking energy: -358.669 Base-Backbone interact. energy: 2.176 local terms energy: -369.542063 where: bonds (distance) C4'-P energy: -74.309 bonds (distance) P-C4' energy: -75.542 flat angles C4'-P-C4' energy: -86.507 flat angles P-C4'-P energy: -30.565 tors. eta vs tors. theta energy: -102.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -991.255417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.255417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.255417 (E_RNA) where: Base-Base interactions energy: -681.877 where: short stacking energy: -305.796 Base-Backbone interact. energy: -3.314 local terms energy: -306.064494 where: bonds (distance) C4'-P energy: -54.208 bonds (distance) P-C4' energy: -67.550 flat angles C4'-P-C4' energy: -65.502 flat angles P-C4'-P energy: -40.990 tors. eta vs tors. theta energy: -77.814 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: 5 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -708.878233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.878233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.878233 (E_RNA) where: Base-Base interactions energy: -467.199 where: short stacking energy: -218.402 Base-Backbone interact. energy: 2.065 local terms energy: -243.743367 where: bonds (distance) C4'-P energy: -44.307 bonds (distance) P-C4' energy: -47.022 flat angles C4'-P-C4' energy: -69.021 flat angles P-C4'-P energy: -48.548 tors. eta vs tors. theta energy: -34.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -385.858213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.858213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.858213 (E_RNA) where: Base-Base interactions energy: -160.561 where: short stacking energy: -128.574 Base-Backbone interact. energy: -0.068 local terms energy: -225.228620 where: bonds (distance) C4'-P energy: -62.355 bonds (distance) P-C4' energy: -65.082 flat angles C4'-P-C4' energy: -52.016 flat angles P-C4'-P energy: -39.605 tors. eta vs tors. theta energy: -6.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -328.760175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.760175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.760175 (E_RNA) where: Base-Base interactions energy: -125.355 where: short stacking energy: -99.675 Base-Backbone interact. energy: -0.432 local terms energy: -202.973008 where: bonds (distance) C4'-P energy: -51.612 bonds (distance) P-C4' energy: -71.881 flat angles C4'-P-C4' energy: -54.610 flat angles P-C4'-P energy: -33.171 tors. eta vs tors. theta energy: 8.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1427.109444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.109444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.109444 (E_RNA) where: Base-Base interactions energy: -1000.060 where: short stacking energy: -412.991 Base-Backbone interact. energy: -1.261 local terms energy: -425.788565 where: bonds (distance) C4'-P energy: -83.572 bonds (distance) P-C4' energy: -84.877 flat angles C4'-P-C4' energy: -82.936 flat angles P-C4'-P energy: -50.980 tors. eta vs tors. theta energy: -123.423 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: 4 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1379.350917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.350917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.350917 (E_RNA) where: Base-Base interactions energy: -955.022 where: short stacking energy: -404.648 Base-Backbone interact. energy: -1.205 local terms energy: -423.124005 where: bonds (distance) C4'-P energy: -70.285 bonds (distance) P-C4' energy: -88.772 flat angles C4'-P-C4' energy: -82.183 flat angles P-C4'-P energy: -59.110 tors. eta vs tors. theta energy: -122.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1302.302284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.302284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.302284 (E_RNA) where: Base-Base interactions energy: -895.103 where: short stacking energy: -401.031 Base-Backbone interact. energy: -1.887 local terms energy: -405.311684 where: bonds (distance) C4'-P energy: -76.619 bonds (distance) P-C4' energy: -72.879 flat angles C4'-P-C4' energy: -79.234 flat angles P-C4'-P energy: -60.831 tors. eta vs tors. theta energy: -115.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1261.033493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.033493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.033493 (E_RNA) where: Base-Base interactions energy: -875.274 where: short stacking energy: -379.107 Base-Backbone interact. energy: 1.691 local terms energy: -387.450747 where: bonds (distance) C4'-P energy: -68.030 bonds (distance) P-C4' energy: -66.029 flat angles C4'-P-C4' energy: -83.922 flat angles P-C4'-P energy: -63.708 tors. eta vs tors. theta energy: -105.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1207.152069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.152069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.152069 (E_RNA) where: Base-Base interactions energy: -810.763 where: short stacking energy: -378.638 Base-Backbone interact. energy: 0.021 local terms energy: -396.409566 where: bonds (distance) C4'-P energy: -80.278 bonds (distance) P-C4' energy: -73.210 flat angles C4'-P-C4' energy: -77.812 flat angles P-C4'-P energy: -50.027 tors. eta vs tors. theta energy: -115.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1129.414052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.414052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.414052 (E_RNA) where: Base-Base interactions energy: -781.096 where: short stacking energy: -329.624 Base-Backbone interact. energy: -0.484 local terms energy: -347.833678 where: bonds (distance) C4'-P energy: -61.474 bonds (distance) P-C4' energy: -71.388 flat angles C4'-P-C4' energy: -76.692 flat angles P-C4'-P energy: -59.042 tors. eta vs tors. theta energy: -79.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -981.039764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.039764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.039764 (E_RNA) where: Base-Base interactions energy: -634.511 where: short stacking energy: -265.863 Base-Backbone interact. energy: -0.981 local terms energy: -345.547962 where: bonds (distance) C4'-P energy: -80.178 bonds (distance) P-C4' energy: -69.372 flat angles C4'-P-C4' energy: -71.340 flat angles P-C4'-P energy: -50.101 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: 8, replica: 5 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -705.952922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.952922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.952922 (E_RNA) where: Base-Base interactions energy: -448.458 where: short stacking energy: -205.733 Base-Backbone interact. energy: 4.170 local terms energy: -261.664518 where: bonds (distance) C4'-P energy: -64.699 bonds (distance) P-C4' energy: -70.097 flat angles C4'-P-C4' energy: -60.200 flat angles P-C4'-P energy: -38.423 tors. eta vs tors. theta energy: -28.246 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: 1 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -350.449456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.449456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.449456 (E_RNA) where: Base-Base interactions energy: -138.813 where: short stacking energy: -119.386 Base-Backbone interact. energy: -1.902 local terms energy: -209.734179 where: bonds (distance) C4'-P energy: -57.724 bonds (distance) P-C4' energy: -65.116 flat angles C4'-P-C4' energy: -51.767 flat angles P-C4'-P energy: -34.148 tors. eta vs tors. theta energy: -0.979 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: 418 Temperature: 1.350000 Total energy: -308.628175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.628175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.628175 (E_RNA) where: Base-Base interactions energy: -87.179 where: short stacking energy: -69.142 Base-Backbone interact. energy: 3.154 local terms energy: -224.602992 where: bonds (distance) C4'-P energy: -68.990 bonds (distance) P-C4' energy: -74.022 flat angles C4'-P-C4' energy: -61.166 flat angles P-C4'-P energy: -33.249 tors. eta vs tors. theta energy: 12.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1432.394543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.394543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.394543 (E_RNA) where: Base-Base interactions energy: -1013.715 where: short stacking energy: -410.822 Base-Backbone interact. energy: -2.828 local terms energy: -415.851897 where: bonds (distance) C4'-P energy: -73.932 bonds (distance) P-C4' energy: -82.091 flat angles C4'-P-C4' energy: -85.722 flat angles P-C4'-P energy: -50.520 tors. eta vs tors. theta energy: -123.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1394.971587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.971587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.971587 (E_RNA) where: Base-Base interactions energy: -963.137 where: short stacking energy: -419.276 Base-Backbone interact. energy: -1.494 local terms energy: -430.340256 where: bonds (distance) C4'-P energy: -87.182 bonds (distance) P-C4' energy: -83.846 flat angles C4'-P-C4' energy: -80.821 flat angles P-C4'-P energy: -54.327 tors. eta vs tors. theta energy: -124.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1286.985129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.985129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.985129 (E_RNA) where: Base-Base interactions energy: -885.697 where: short stacking energy: -378.441 Base-Backbone interact. energy: -1.440 local terms energy: -399.847773 where: bonds (distance) C4'-P energy: -75.501 bonds (distance) P-C4' energy: -68.713 flat angles C4'-P-C4' energy: -86.119 flat angles P-C4'-P energy: -54.996 tors. eta vs tors. theta energy: -114.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1252.136288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.136288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.136288 (E_RNA) where: Base-Base interactions energy: -857.005 where: short stacking energy: -376.561 Base-Backbone interact. energy: 0.156 local terms energy: -395.287092 where: bonds (distance) C4'-P energy: -65.818 bonds (distance) P-C4' energy: -82.048 flat angles C4'-P-C4' energy: -83.661 flat angles P-C4'-P energy: -51.237 tors. eta vs tors. theta energy: -112.523 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: 2 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1212.098435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.098435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.098435 (E_RNA) where: Base-Base interactions energy: -815.250 where: short stacking energy: -364.559 Base-Backbone interact. energy: -0.861 local terms energy: -395.987325 where: bonds (distance) C4'-P energy: -76.315 bonds (distance) P-C4' energy: -82.227 flat angles C4'-P-C4' energy: -73.107 flat angles P-C4'-P energy: -53.994 tors. eta vs tors. theta energy: -110.344 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: 7 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1154.036783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.036783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.036783 (E_RNA) where: Base-Base interactions energy: -782.317 where: short stacking energy: -369.923 Base-Backbone interact. energy: 0.702 local terms energy: -372.421914 where: bonds (distance) C4'-P energy: -63.087 bonds (distance) P-C4' energy: -69.839 flat angles C4'-P-C4' energy: -80.376 flat angles P-C4'-P energy: -51.985 tors. eta vs tors. theta energy: -107.134 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: 9 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -998.275956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.275956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.275956 (E_RNA) where: Base-Base interactions energy: -680.585 where: short stacking energy: -297.125 Base-Backbone interact. energy: 0.996 local terms energy: -318.686497 where: bonds (distance) C4'-P energy: -52.713 bonds (distance) P-C4' energy: -71.509 flat angles C4'-P-C4' energy: -76.553 flat angles P-C4'-P energy: -39.693 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: 8, replica: 5 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -745.482159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.482159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.482159 (E_RNA) where: Base-Base interactions energy: -473.360 where: short stacking energy: -216.262 Base-Backbone interact. energy: 5.499 local terms energy: -277.621153 where: bonds (distance) C4'-P energy: -65.899 bonds (distance) P-C4' energy: -63.982 flat angles C4'-P-C4' energy: -66.875 flat angles P-C4'-P energy: -39.967 tors. eta vs tors. theta energy: -40.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -350.647815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.647815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.647815 (E_RNA) where: Base-Base interactions energy: -125.024 where: short stacking energy: -91.926 Base-Backbone interact. energy: 1.403 local terms energy: -227.026653 where: bonds (distance) C4'-P energy: -66.440 bonds (distance) P-C4' energy: -61.126 flat angles C4'-P-C4' energy: -67.228 flat angles P-C4'-P energy: -29.087 tors. eta vs tors. theta energy: -3.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -307.438981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.438981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.438981 (E_RNA) where: Base-Base interactions energy: -114.598 where: short stacking energy: -86.296 Base-Backbone interact. energy: 4.403 local terms energy: -197.243409 where: bonds (distance) C4'-P energy: -64.448 bonds (distance) P-C4' energy: -59.562 flat angles C4'-P-C4' energy: -61.246 flat angles P-C4'-P energy: -41.345 tors. eta vs tors. theta energy: 29.358 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: 6 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1428.551705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.551705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.551705 (E_RNA) where: Base-Base interactions energy: -1001.835 where: short stacking energy: -423.786 Base-Backbone interact. energy: -0.889 local terms energy: -425.827687 where: bonds (distance) C4'-P energy: -82.641 bonds (distance) P-C4' energy: -72.321 flat angles C4'-P-C4' energy: -92.188 flat angles P-C4'-P energy: -57.167 tors. eta vs tors. theta energy: -121.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1392.223027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.223027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.223027 (E_RNA) where: Base-Base interactions energy: -960.144 where: short stacking energy: -415.779 Base-Backbone interact. energy: 0.961 local terms energy: -433.039531 where: bonds (distance) C4'-P energy: -76.905 bonds (distance) P-C4' energy: -83.785 flat angles C4'-P-C4' energy: -91.003 flat angles P-C4'-P energy: -57.788 tors. eta vs tors. theta energy: -123.558 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: 10 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1273.898510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.898510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.898510 (E_RNA) where: Base-Base interactions energy: -867.229 where: short stacking energy: -377.381 Base-Backbone interact. energy: -1.236 local terms energy: -405.433626 where: bonds (distance) C4'-P energy: -81.052 bonds (distance) P-C4' energy: -67.339 flat angles C4'-P-C4' energy: -85.883 flat angles P-C4'-P energy: -60.318 tors. eta vs tors. theta energy: -110.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1253.567523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.567523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.567523 (E_RNA) where: Base-Base interactions energy: -884.315 where: short stacking energy: -369.198 Base-Backbone interact. energy: -0.893 local terms energy: -368.359489 where: bonds (distance) C4'-P energy: -60.417 bonds (distance) P-C4' energy: -76.403 flat angles C4'-P-C4' energy: -79.932 flat angles P-C4'-P energy: -51.552 tors. eta vs tors. theta energy: -100.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1199.858135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.858135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.858135 (E_RNA) where: Base-Base interactions energy: -805.362 where: short stacking energy: -362.737 Base-Backbone interact. energy: -0.877 local terms energy: -393.619880 where: bonds (distance) C4'-P energy: -66.019 bonds (distance) P-C4' energy: -84.007 flat angles C4'-P-C4' energy: -81.897 flat angles P-C4'-P energy: -54.931 tors. eta vs tors. theta energy: -106.766 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: 6, replica: 2 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1164.830840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.830840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.830840 (E_RNA) where: Base-Base interactions energy: -800.632 where: short stacking energy: -356.933 Base-Backbone interact. energy: -2.004 local terms energy: -362.194382 where: bonds (distance) C4'-P energy: -73.972 bonds (distance) P-C4' energy: -54.598 flat angles C4'-P-C4' energy: -87.766 flat angles P-C4'-P energy: -46.348 tors. eta vs tors. theta energy: -99.511 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: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -962.686165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.686165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.686165 (E_RNA) where: Base-Base interactions energy: -649.774 where: short stacking energy: -313.297 Base-Backbone interact. energy: -1.884 local terms energy: -311.028159 where: bonds (distance) C4'-P energy: -65.630 bonds (distance) P-C4' energy: -68.271 flat angles C4'-P-C4' energy: -69.298 flat angles P-C4'-P energy: -39.785 tors. eta vs tors. theta energy: -68.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -756.594901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.594901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.594901 (E_RNA) where: Base-Base interactions energy: -460.941 where: short stacking energy: -234.132 Base-Backbone interact. energy: -0.398 local terms energy: -295.255267 where: bonds (distance) C4'-P energy: -55.597 bonds (distance) P-C4' energy: -73.449 flat angles C4'-P-C4' energy: -77.702 flat angles P-C4'-P energy: -41.170 tors. eta vs tors. theta energy: -47.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -345.870136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.870136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.870136 (E_RNA) where: Base-Base interactions energy: -132.606 where: short stacking energy: -109.227 Base-Backbone interact. energy: -2.163 local terms energy: -211.101006 where: bonds (distance) C4'-P energy: -72.469 bonds (distance) P-C4' energy: -62.919 flat angles C4'-P-C4' energy: -54.006 flat angles P-C4'-P energy: -25.573 tors. eta vs tors. theta energy: 3.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -309.549939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.549939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.549939 (E_RNA) where: Base-Base interactions energy: -124.781 where: short stacking energy: -79.914 Base-Backbone interact. energy: -0.425 local terms energy: -184.343861 where: bonds (distance) C4'-P energy: -53.178 bonds (distance) P-C4' energy: -66.089 flat angles C4'-P-C4' energy: -52.788 flat angles P-C4'-P energy: -29.462 tors. eta vs tors. theta energy: 17.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1423.609851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.609851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.609851 (E_RNA) where: Base-Base interactions energy: -987.026 where: short stacking energy: -424.901 Base-Backbone interact. energy: 0.477 local terms energy: -437.060486 where: bonds (distance) C4'-P energy: -81.362 bonds (distance) P-C4' energy: -78.923 flat angles C4'-P-C4' energy: -99.605 flat angles P-C4'-P energy: -59.068 tors. eta vs tors. theta energy: -118.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1411.641925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.641925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.641925 (E_RNA) where: Base-Base interactions energy: -976.198 where: short stacking energy: -416.463 Base-Backbone interact. energy: -1.100 local terms energy: -434.344080 where: bonds (distance) C4'-P energy: -80.134 bonds (distance) P-C4' energy: -80.251 flat angles C4'-P-C4' energy: -90.106 flat angles P-C4'-P energy: -61.246 tors. eta vs tors. theta energy: -122.607 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: 10 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1308.880367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.880367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.880367 (E_RNA) where: Base-Base interactions energy: -892.020 where: short stacking energy: -386.587 Base-Backbone interact. energy: -1.917 local terms energy: -414.943336 where: bonds (distance) C4'-P energy: -76.128 bonds (distance) P-C4' energy: -78.606 flat angles C4'-P-C4' energy: -82.836 flat angles P-C4'-P energy: -62.200 tors. eta vs tors. theta energy: -115.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1236.107113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.107113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.107113 (E_RNA) where: Base-Base interactions energy: -859.353 where: short stacking energy: -354.646 Base-Backbone interact. energy: -2.084 local terms energy: -374.670431 where: bonds (distance) C4'-P energy: -66.410 bonds (distance) P-C4' energy: -69.606 flat angles C4'-P-C4' energy: -80.931 flat angles P-C4'-P energy: -60.818 tors. eta vs tors. theta energy: -96.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1167.036003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.036003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.036003 (E_RNA) where: Base-Base interactions energy: -775.458 where: short stacking energy: -335.163 Base-Backbone interact. energy: -2.596 local terms energy: -388.981417 where: bonds (distance) C4'-P energy: -77.029 bonds (distance) P-C4' energy: -77.111 flat angles C4'-P-C4' energy: -84.090 flat angles P-C4'-P energy: -49.157 tors. eta vs tors. theta energy: -101.594 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: 6, replica: 2 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1154.517753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.517753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.517753 (E_RNA) where: Base-Base interactions energy: -794.450 where: short stacking energy: -352.358 Base-Backbone interact. energy: 0.459 local terms energy: -360.526654 where: bonds (distance) C4'-P energy: -65.148 bonds (distance) P-C4' energy: -68.145 flat angles C4'-P-C4' energy: -77.425 flat angles P-C4'-P energy: -48.766 tors. eta vs tors. theta energy: -101.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -941.153704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.153704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.153704 (E_RNA) where: Base-Base interactions energy: -602.284 where: short stacking energy: -271.131 Base-Backbone interact. energy: -0.596 local terms energy: -338.273963 where: bonds (distance) C4'-P energy: -70.471 bonds (distance) P-C4' energy: -72.894 flat angles C4'-P-C4' energy: -70.030 flat angles P-C4'-P energy: -50.978 tors. eta vs tors. theta energy: -73.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -701.418442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.418442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.418442 (E_RNA) where: Base-Base interactions energy: -433.738 where: short stacking energy: -207.821 Base-Backbone interact. energy: -1.350 local terms energy: -266.330880 where: bonds (distance) C4'-P energy: -54.998 bonds (distance) P-C4' energy: -75.647 flat angles C4'-P-C4' energy: -68.614 flat angles P-C4'-P energy: -34.108 tors. eta vs tors. theta energy: -32.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -342.226895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.226895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.226895 (E_RNA) where: Base-Base interactions energy: -137.261 where: short stacking energy: -99.898 Base-Backbone interact. energy: -0.861 local terms energy: -204.105189 where: bonds (distance) C4'-P energy: -71.437 bonds (distance) P-C4' energy: -72.870 flat angles C4'-P-C4' energy: -52.911 flat angles P-C4'-P energy: -18.454 tors. eta vs tors. theta energy: 11.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -325.476253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.476253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.476253 (E_RNA) where: Base-Base interactions energy: -124.527 where: short stacking energy: -92.405 Base-Backbone interact. energy: -0.384 local terms energy: -200.565683 where: bonds (distance) C4'-P energy: -72.626 bonds (distance) P-C4' energy: -62.598 flat angles C4'-P-C4' energy: -49.995 flat angles P-C4'-P energy: -24.143 tors. eta vs tors. theta energy: 8.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1424.065169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.065169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.065169 (E_RNA) where: Base-Base interactions energy: -981.035 where: short stacking energy: -411.434 Base-Backbone interact. energy: -0.878 local terms energy: -442.153089 where: bonds (distance) C4'-P energy: -84.538 bonds (distance) P-C4' energy: -82.496 flat angles C4'-P-C4' energy: -88.249 flat angles P-C4'-P energy: -66.817 tors. eta vs tors. theta energy: -120.053 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: 4 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1374.360068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.360068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.360068 (E_RNA) where: Base-Base interactions energy: -950.476 where: short stacking energy: -403.811 Base-Backbone interact. energy: -1.743 local terms energy: -422.140353 where: bonds (distance) C4'-P energy: -71.155 bonds (distance) P-C4' energy: -83.135 flat angles C4'-P-C4' energy: -85.297 flat angles P-C4'-P energy: -59.900 tors. eta vs tors. theta energy: -122.654 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: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1271.855591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.855591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.855591 (E_RNA) where: Base-Base interactions energy: -888.817 where: short stacking energy: -413.556 Base-Backbone interact. energy: -3.613 local terms energy: -379.425314 where: bonds (distance) C4'-P energy: -79.012 bonds (distance) P-C4' energy: -60.445 flat angles C4'-P-C4' energy: -80.464 flat angles P-C4'-P energy: -50.582 tors. eta vs tors. theta energy: -108.922 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: 10 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1287.885391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.885391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.885391 (E_RNA) where: Base-Base interactions energy: -878.564 where: short stacking energy: -376.032 Base-Backbone interact. energy: -1.312 local terms energy: -408.009712 where: bonds (distance) C4'-P energy: -72.334 bonds (distance) P-C4' energy: -79.884 flat angles C4'-P-C4' energy: -84.632 flat angles P-C4'-P energy: -57.410 tors. eta vs tors. theta energy: -113.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1193.905699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.905699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.905699 (E_RNA) where: Base-Base interactions energy: -826.687 where: short stacking energy: -384.116 Base-Backbone interact. energy: -3.021 local terms energy: -364.197829 where: bonds (distance) C4'-P energy: -65.388 bonds (distance) P-C4' energy: -61.067 flat angles C4'-P-C4' energy: -82.622 flat angles P-C4'-P energy: -35.783 tors. eta vs tors. theta energy: -119.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1136.222300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.222300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.222300 (E_RNA) where: Base-Base interactions energy: -780.581 where: short stacking energy: -324.482 Base-Backbone interact. energy: -0.350 local terms energy: -355.291803 where: bonds (distance) C4'-P energy: -66.724 bonds (distance) P-C4' energy: -72.921 flat angles C4'-P-C4' energy: -83.770 flat angles P-C4'-P energy: -37.846 tors. eta vs tors. theta energy: -94.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -979.610874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.610874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.610874 (E_RNA) where: Base-Base interactions energy: -663.587 where: short stacking energy: -299.572 Base-Backbone interact. energy: 0.928 local terms energy: -316.951650 where: bonds (distance) C4'-P energy: -62.376 bonds (distance) P-C4' energy: -67.781 flat angles C4'-P-C4' energy: -68.461 flat angles P-C4'-P energy: -41.605 tors. eta vs tors. theta energy: -76.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -715.460673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.460673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.460673 (E_RNA) where: Base-Base interactions energy: -452.114 where: short stacking energy: -203.854 Base-Backbone interact. energy: -0.681 local terms energy: -262.666286 where: bonds (distance) C4'-P energy: -63.886 bonds (distance) P-C4' energy: -70.885 flat angles C4'-P-C4' energy: -57.179 flat angles P-C4'-P energy: -35.826 tors. eta vs tors. theta energy: -34.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -434.949023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.949023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.949023 (E_RNA) where: Base-Base interactions energy: -190.216 where: short stacking energy: -117.135 Base-Backbone interact. energy: -0.110 local terms energy: -244.622418 where: bonds (distance) C4'-P energy: -71.884 bonds (distance) P-C4' energy: -70.771 flat angles C4'-P-C4' energy: -61.176 flat angles P-C4'-P energy: -34.065 tors. eta vs tors. theta energy: -6.727 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: 8 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -310.896740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.896740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.896740 (E_RNA) where: Base-Base interactions energy: -112.709 where: short stacking energy: -84.096 Base-Backbone interact. energy: -0.409 local terms energy: -197.778057 where: bonds (distance) C4'-P energy: -66.451 bonds (distance) P-C4' energy: -67.661 flat angles C4'-P-C4' energy: -46.459 flat angles P-C4'-P energy: -31.600 tors. eta vs tors. theta energy: 14.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1418.524304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.524304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.524304 (E_RNA) where: Base-Base interactions energy: -985.269 where: short stacking energy: -419.374 Base-Backbone interact. energy: -1.464 local terms energy: -431.791071 where: bonds (distance) C4'-P energy: -75.085 bonds (distance) P-C4' energy: -85.078 flat angles C4'-P-C4' energy: -91.137 flat angles P-C4'-P energy: -50.502 tors. eta vs tors. theta energy: -129.989 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: 4 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1410.403270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.403270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.403270 (E_RNA) where: Base-Base interactions energy: -971.290 where: short stacking energy: -413.799 Base-Backbone interact. energy: -1.667 local terms energy: -437.446522 where: bonds (distance) C4'-P energy: -78.935 bonds (distance) P-C4' energy: -84.180 flat angles C4'-P-C4' energy: -92.848 flat angles P-C4'-P energy: -53.929 tors. eta vs tors. theta energy: -127.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1273.341175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.341175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.341175 (E_RNA) where: Base-Base interactions energy: -881.766 where: short stacking energy: -374.958 Base-Backbone interact. energy: 0.082 local terms energy: -391.657441 where: bonds (distance) C4'-P energy: -70.712 bonds (distance) P-C4' energy: -82.417 flat angles C4'-P-C4' energy: -85.044 flat angles P-C4'-P energy: -50.948 tors. eta vs tors. theta energy: -102.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1275.003241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.003241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.003241 (E_RNA) where: Base-Base interactions energy: -879.479 where: short stacking energy: -382.101 Base-Backbone interact. energy: -0.086 local terms energy: -395.437798 where: bonds (distance) C4'-P energy: -65.353 bonds (distance) P-C4' energy: -78.175 flat angles C4'-P-C4' energy: -80.157 flat angles P-C4'-P energy: -57.604 tors. eta vs tors. theta energy: -114.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1212.731297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.731297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.731297 (E_RNA) where: Base-Base interactions energy: -848.950 where: short stacking energy: -372.355 Base-Backbone interact. energy: -3.776 local terms energy: -360.005232 where: bonds (distance) C4'-P energy: -61.492 bonds (distance) P-C4' energy: -65.962 flat angles C4'-P-C4' energy: -84.953 flat angles P-C4'-P energy: -41.730 tors. eta vs tors. theta energy: -105.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1145.257805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.257805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.257805 (E_RNA) where: Base-Base interactions energy: -791.599 where: short stacking energy: -349.326 Base-Backbone interact. energy: -0.010 local terms energy: -353.648205 where: bonds (distance) C4'-P energy: -60.728 bonds (distance) P-C4' energy: -72.804 flat angles C4'-P-C4' energy: -78.767 flat angles P-C4'-P energy: -43.971 tors. eta vs tors. theta energy: -97.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -957.051461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.051461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.051461 (E_RNA) where: Base-Base interactions energy: -641.454 where: short stacking energy: -258.319 Base-Backbone interact. energy: -0.553 local terms energy: -315.043888 where: bonds (distance) C4'-P energy: -70.307 bonds (distance) P-C4' energy: -65.779 flat angles C4'-P-C4' energy: -78.140 flat angles P-C4'-P energy: -40.319 tors. eta vs tors. theta energy: -60.499 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: 5 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -756.024214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.024214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.024214 (E_RNA) where: Base-Base interactions energy: -485.410 where: short stacking energy: -241.452 Base-Backbone interact. energy: 0.114 local terms energy: -270.728511 where: bonds (distance) C4'-P energy: -61.686 bonds (distance) P-C4' energy: -59.238 flat angles C4'-P-C4' energy: -58.869 flat angles P-C4'-P energy: -47.317 tors. eta vs tors. theta energy: -43.618 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: 1 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -407.972850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.972850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.972850 (E_RNA) where: Base-Base interactions energy: -178.667 where: short stacking energy: -127.070 Base-Backbone interact. energy: -0.635 local terms energy: -228.670944 where: bonds (distance) C4'-P energy: -55.924 bonds (distance) P-C4' energy: -64.138 flat angles C4'-P-C4' energy: -59.070 flat angles P-C4'-P energy: -38.379 tors. eta vs tors. theta energy: -11.159 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: 8 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -302.495268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.495268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.495268 (E_RNA) where: Base-Base interactions energy: -85.838 where: short stacking energy: -83.741 Base-Backbone interact. energy: -1.254 local terms energy: -215.403626 where: bonds (distance) C4'-P energy: -62.225 bonds (distance) P-C4' energy: -64.587 flat angles C4'-P-C4' energy: -65.028 flat angles P-C4'-P energy: -33.296 tors. eta vs tors. theta energy: 9.731 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: 1, replica: 6 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1411.817052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.817052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.817052 (E_RNA) where: Base-Base interactions energy: -977.636 where: short stacking energy: -401.755 Base-Backbone interact. energy: -1.601 local terms energy: -432.580202 where: bonds (distance) C4'-P energy: -78.957 bonds (distance) P-C4' energy: -80.859 flat angles C4'-P-C4' energy: -97.941 flat angles P-C4'-P energy: -57.241 tors. eta vs tors. theta energy: -117.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1374.475054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.475054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.475054 (E_RNA) where: Base-Base interactions energy: -956.880 where: short stacking energy: -412.238 Base-Backbone interact. energy: -0.943 local terms energy: -416.652137 where: bonds (distance) C4'-P energy: -66.133 bonds (distance) P-C4' energy: -76.872 flat angles C4'-P-C4' energy: -86.923 flat angles P-C4'-P energy: -66.602 tors. eta vs tors. theta energy: -120.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1331.577895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.577895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.577895 (E_RNA) where: Base-Base interactions energy: -941.625 where: short stacking energy: -409.680 Base-Backbone interact. energy: -0.835 local terms energy: -389.118734 where: bonds (distance) C4'-P energy: -71.243 bonds (distance) P-C4' energy: -63.707 flat angles C4'-P-C4' energy: -86.014 flat angles P-C4'-P energy: -56.605 tors. eta vs tors. theta energy: -111.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1272.348182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.348182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.348182 (E_RNA) where: Base-Base interactions energy: -877.231 where: short stacking energy: -374.496 Base-Backbone interact. energy: -1.959 local terms energy: -393.158416 where: bonds (distance) C4'-P energy: -75.670 bonds (distance) P-C4' energy: -76.918 flat angles C4'-P-C4' energy: -80.564 flat angles P-C4'-P energy: -44.806 tors. eta vs tors. theta energy: -115.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1203.374064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.374064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.374064 (E_RNA) where: Base-Base interactions energy: -826.048 where: short stacking energy: -376.278 Base-Backbone interact. energy: 1.042 local terms energy: -378.367452 where: bonds (distance) C4'-P energy: -71.142 bonds (distance) P-C4' energy: -64.121 flat angles C4'-P-C4' energy: -76.864 flat angles P-C4'-P energy: -54.584 tors. eta vs tors. theta energy: -111.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1156.196878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.196878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.196878 (E_RNA) where: Base-Base interactions energy: -802.282 where: short stacking energy: -346.533 Base-Backbone interact. energy: -1.679 local terms energy: -352.236688 where: bonds (distance) C4'-P energy: -54.250 bonds (distance) P-C4' energy: -75.631 flat angles C4'-P-C4' energy: -73.669 flat angles P-C4'-P energy: -46.483 tors. eta vs tors. theta energy: -102.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -964.154941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.154941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.154941 (E_RNA) where: Base-Base interactions energy: -620.176 where: short stacking energy: -277.040 Base-Backbone interact. energy: 0.008 local terms energy: -343.986980 where: bonds (distance) C4'-P energy: -69.486 bonds (distance) P-C4' energy: -69.766 flat angles C4'-P-C4' energy: -75.099 flat angles P-C4'-P energy: -53.041 tors. eta vs tors. theta energy: -76.595 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: 5 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -771.038438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.038438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.038438 (E_RNA) where: Base-Base interactions energy: -492.778 where: short stacking energy: -232.780 Base-Backbone interact. energy: -1.564 local terms energy: -276.696112 where: bonds (distance) C4'-P energy: -72.179 bonds (distance) P-C4' energy: -62.481 flat angles C4'-P-C4' energy: -57.587 flat angles P-C4'-P energy: -44.609 tors. eta vs tors. theta energy: -39.840 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: 9, replica: 1 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -410.394058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.394058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.394058 (E_RNA) where: Base-Base interactions energy: -176.359 where: short stacking energy: -136.992 Base-Backbone interact. energy: -0.526 local terms energy: -233.509470 where: bonds (distance) C4'-P energy: -76.826 bonds (distance) P-C4' energy: -52.554 flat angles C4'-P-C4' energy: -59.009 flat angles P-C4'-P energy: -36.638 tors. eta vs tors. theta energy: -8.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -303.439661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.439661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.439661 (E_RNA) where: Base-Base interactions energy: -105.104 where: short stacking energy: -89.094 Base-Backbone interact. energy: 1.074 local terms energy: -199.409600 where: bonds (distance) C4'-P energy: -56.836 bonds (distance) P-C4' energy: -64.726 flat angles C4'-P-C4' energy: -42.510 flat angles P-C4'-P energy: -48.018 tors. eta vs tors. theta energy: 12.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1417.223537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.223537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.223537 (E_RNA) where: Base-Base interactions energy: -994.448 where: short stacking energy: -415.309 Base-Backbone interact. energy: -1.407 local terms energy: -421.369097 where: bonds (distance) C4'-P energy: -77.132 bonds (distance) P-C4' energy: -80.466 flat angles C4'-P-C4' energy: -87.406 flat angles P-C4'-P energy: -54.399 tors. eta vs tors. theta energy: -121.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1380.728487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.728487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.728487 (E_RNA) where: Base-Base interactions energy: -955.988 where: short stacking energy: -409.064 Base-Backbone interact. energy: -1.209 local terms energy: -423.531020 where: bonds (distance) C4'-P energy: -72.726 bonds (distance) P-C4' energy: -87.163 flat angles C4'-P-C4' energy: -83.192 flat angles P-C4'-P energy: -55.400 tors. eta vs tors. theta energy: -125.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1299.813297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.813297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.813297 (E_RNA) where: Base-Base interactions energy: -908.330 where: short stacking energy: -398.266 Base-Backbone interact. energy: -1.591 local terms energy: -389.892118 where: bonds (distance) C4'-P energy: -74.724 bonds (distance) P-C4' energy: -72.236 flat angles C4'-P-C4' energy: -78.640 flat angles P-C4'-P energy: -50.042 tors. eta vs tors. theta energy: -114.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1253.549656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.549656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.549656 (E_RNA) where: Base-Base interactions energy: -857.860 where: short stacking energy: -362.995 Base-Backbone interact. energy: -1.783 local terms energy: -393.906321 where: bonds (distance) C4'-P energy: -69.304 bonds (distance) P-C4' energy: -78.488 flat angles C4'-P-C4' energy: -89.268 flat angles P-C4'-P energy: -42.172 tors. eta vs tors. theta energy: -114.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1239.790333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.790333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.790333 (E_RNA) where: Base-Base interactions energy: -874.195 where: short stacking energy: -367.721 Base-Backbone interact. energy: -3.686 local terms energy: -361.909506 where: bonds (distance) C4'-P energy: -57.290 bonds (distance) P-C4' energy: -73.844 flat angles C4'-P-C4' energy: -79.413 flat angles P-C4'-P energy: -48.765 tors. eta vs tors. theta energy: -102.597 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: 7 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1154.595935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.595935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.595935 (E_RNA) where: Base-Base interactions energy: -802.405 where: short stacking energy: -367.260 Base-Backbone interact. energy: 1.256 local terms energy: -353.447259 where: bonds (distance) C4'-P energy: -69.498 bonds (distance) P-C4' energy: -63.006 flat angles C4'-P-C4' energy: -72.050 flat angles P-C4'-P energy: -51.451 tors. eta vs tors. theta energy: -97.443 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: 7, replica: 9 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -941.338845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.338845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.338845 (E_RNA) where: Base-Base interactions energy: -606.908 where: short stacking energy: -259.438 Base-Backbone interact. energy: 0.182 local terms energy: -334.612864 where: bonds (distance) C4'-P energy: -65.771 bonds (distance) P-C4' energy: -78.815 flat angles C4'-P-C4' energy: -75.673 flat angles P-C4'-P energy: -47.470 tors. eta vs tors. theta energy: -66.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -765.413427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.413427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.413427 (E_RNA) where: Base-Base interactions energy: -487.908 where: short stacking energy: -220.533 Base-Backbone interact. energy: -1.456 local terms energy: -276.049535 where: bonds (distance) C4'-P energy: -60.968 bonds (distance) P-C4' energy: -79.226 flat angles C4'-P-C4' energy: -73.148 flat angles P-C4'-P energy: -27.737 tors. eta vs tors. theta energy: -34.971 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: 1 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -387.094801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.094801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.094801 (E_RNA) where: Base-Base interactions energy: -162.799 where: short stacking energy: -95.831 Base-Backbone interact. energy: -0.092 local terms energy: -224.203939 where: bonds (distance) C4'-P energy: -61.854 bonds (distance) P-C4' energy: -77.644 flat angles C4'-P-C4' energy: -58.915 flat angles P-C4'-P energy: -38.759 tors. eta vs tors. theta energy: 12.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -324.712637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.712637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.712637 (E_RNA) where: Base-Base interactions energy: -114.684 where: short stacking energy: -93.911 Base-Backbone interact. energy: -0.095 local terms energy: -209.933529 where: bonds (distance) C4'-P energy: -58.084 bonds (distance) P-C4' energy: -67.900 flat angles C4'-P-C4' energy: -55.524 flat angles P-C4'-P energy: -29.502 tors. eta vs tors. theta energy: 1.077 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: 426 Temperature: 0.900000 Total energy: -1419.504189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.504189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.504189 (E_RNA) where: Base-Base interactions energy: -992.675 where: short stacking energy: -402.321 Base-Backbone interact. energy: 1.537 local terms energy: -428.366882 where: bonds (distance) C4'-P energy: -80.309 bonds (distance) P-C4' energy: -67.768 flat angles C4'-P-C4' energy: -95.642 flat angles P-C4'-P energy: -64.241 tors. eta vs tors. theta energy: -120.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1374.666595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.666595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.666595 (E_RNA) where: Base-Base interactions energy: -954.939 where: short stacking energy: -405.442 Base-Backbone interact. energy: -2.317 local terms energy: -417.411371 where: bonds (distance) C4'-P energy: -68.830 bonds (distance) P-C4' energy: -76.793 flat angles C4'-P-C4' energy: -83.050 flat angles P-C4'-P energy: -63.394 tors. eta vs tors. theta energy: -125.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1296.261534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.261534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.261534 (E_RNA) where: Base-Base interactions energy: -886.987 where: short stacking energy: -382.039 Base-Backbone interact. energy: -2.281 local terms energy: -406.993680 where: bonds (distance) C4'-P energy: -71.235 bonds (distance) P-C4' energy: -79.311 flat angles C4'-P-C4' energy: -87.604 flat angles P-C4'-P energy: -61.382 tors. eta vs tors. theta energy: -107.461 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: 2 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1252.495400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.495400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.495400 (E_RNA) where: Base-Base interactions energy: -874.252 where: short stacking energy: -402.266 Base-Backbone interact. energy: -0.729 local terms energy: -377.514200 where: bonds (distance) C4'-P energy: -57.334 bonds (distance) P-C4' energy: -70.320 flat angles C4'-P-C4' energy: -80.905 flat angles P-C4'-P energy: -48.157 tors. eta vs tors. theta energy: -120.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1242.104931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.104931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.104931 (E_RNA) where: Base-Base interactions energy: -842.561 where: short stacking energy: -375.592 Base-Backbone interact. energy: -2.782 local terms energy: -396.761550 where: bonds (distance) C4'-P energy: -72.741 bonds (distance) P-C4' energy: -66.600 flat angles C4'-P-C4' energy: -92.248 flat angles P-C4'-P energy: -52.635 tors. eta vs tors. theta energy: -112.537 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: 7 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1128.294408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.294408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.294408 (E_RNA) where: Base-Base interactions energy: -784.375 where: short stacking energy: -332.518 Base-Backbone interact. energy: 0.708 local terms energy: -344.628003 where: bonds (distance) C4'-P energy: -68.397 bonds (distance) P-C4' energy: -70.973 flat angles C4'-P-C4' energy: -69.980 flat angles P-C4'-P energy: -49.407 tors. eta vs tors. theta energy: -85.871 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: 7, replica: 9 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1002.965099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.965099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.965099 (E_RNA) where: Base-Base interactions energy: -695.916 where: short stacking energy: -317.423 Base-Backbone interact. energy: 2.259 local terms energy: -309.308715 where: bonds (distance) C4'-P energy: -45.041 bonds (distance) P-C4' energy: -61.801 flat angles C4'-P-C4' energy: -76.676 flat angles P-C4'-P energy: -40.202 tors. eta vs tors. theta energy: -85.588 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: 5 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -775.927593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.927593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.927593 (E_RNA) where: Base-Base interactions energy: -494.664 where: short stacking energy: -239.804 Base-Backbone interact. energy: -0.726 local terms energy: -280.538294 where: bonds (distance) C4'-P energy: -57.369 bonds (distance) P-C4' energy: -63.001 flat angles C4'-P-C4' energy: -68.203 flat angles P-C4'-P energy: -47.353 tors. eta vs tors. theta energy: -44.612 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: 8 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -346.223420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.223420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.223420 (E_RNA) where: Base-Base interactions energy: -150.266 where: short stacking energy: -112.905 Base-Backbone interact. energy: 0.480 local terms energy: -196.437113 where: bonds (distance) C4'-P energy: -53.530 bonds (distance) P-C4' energy: -64.100 flat angles C4'-P-C4' energy: -55.334 flat angles P-C4'-P energy: -30.232 tors. eta vs tors. theta energy: 6.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -332.025445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.025445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.025445 (E_RNA) where: Base-Base interactions energy: -119.401 where: short stacking energy: -77.307 Base-Backbone interact. energy: 0.118 local terms energy: -212.742513 where: bonds (distance) C4'-P energy: -60.686 bonds (distance) P-C4' energy: -70.484 flat angles C4'-P-C4' energy: -66.041 flat angles P-C4'-P energy: -28.324 tors. eta vs tors. theta energy: 12.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1409.493759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.493759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.493759 (E_RNA) where: Base-Base interactions energy: -986.462 where: short stacking energy: -413.183 Base-Backbone interact. energy: -0.014 local terms energy: -423.018250 where: bonds (distance) C4'-P energy: -81.663 bonds (distance) P-C4' energy: -78.117 flat angles C4'-P-C4' energy: -88.069 flat angles P-C4'-P energy: -59.450 tors. eta vs tors. theta energy: -115.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1385.725523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.725523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.725523 (E_RNA) where: Base-Base interactions energy: -980.278 where: short stacking energy: -423.822 Base-Backbone interact. energy: -0.771 local terms energy: -404.676373 where: bonds (distance) C4'-P energy: -67.184 bonds (distance) P-C4' energy: -71.910 flat angles C4'-P-C4' energy: -83.013 flat angles P-C4'-P energy: -64.895 tors. eta vs tors. theta energy: -117.675 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: 3, replica: 10 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1300.663298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.663298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.663298 (E_RNA) where: Base-Base interactions energy: -881.020 where: short stacking energy: -392.436 Base-Backbone interact. energy: -1.505 local terms energy: -418.137992 where: bonds (distance) C4'-P energy: -78.587 bonds (distance) P-C4' energy: -80.715 flat angles C4'-P-C4' energy: -86.725 flat angles P-C4'-P energy: -53.462 tors. eta vs tors. theta energy: -118.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1240.611951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.611951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.611951 (E_RNA) where: Base-Base interactions energy: -839.581 where: short stacking energy: -372.897 Base-Backbone interact. energy: -0.513 local terms energy: -400.518520 where: bonds (distance) C4'-P energy: -75.695 bonds (distance) P-C4' energy: -67.414 flat angles C4'-P-C4' energy: -88.453 flat angles P-C4'-P energy: -56.242 tors. eta vs tors. theta energy: -112.714 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: 3 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1244.413814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.413814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.413814 (E_RNA) where: Base-Base interactions energy: -884.741 where: short stacking energy: -376.580 Base-Backbone interact. energy: -1.266 local terms energy: -358.406519 where: bonds (distance) C4'-P energy: -69.414 bonds (distance) P-C4' energy: -62.294 flat angles C4'-P-C4' energy: -72.869 flat angles P-C4'-P energy: -49.966 tors. eta vs tors. theta energy: -103.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1129.869720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.869720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.869720 (E_RNA) where: Base-Base interactions energy: -770.508 where: short stacking energy: -325.460 Base-Backbone interact. energy: -1.386 local terms energy: -357.975927 where: bonds (distance) C4'-P energy: -63.731 bonds (distance) P-C4' energy: -64.744 flat angles C4'-P-C4' energy: -76.556 flat angles P-C4'-P energy: -58.565 tors. eta vs tors. theta energy: -94.379 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: 9 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1030.019218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.019218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.019218 (E_RNA) where: Base-Base interactions energy: -679.557 where: short stacking energy: -310.118 Base-Backbone interact. energy: -0.852 local terms energy: -349.609593 where: bonds (distance) C4'-P energy: -67.581 bonds (distance) P-C4' energy: -63.141 flat angles C4'-P-C4' energy: -74.680 flat angles P-C4'-P energy: -58.564 tors. eta vs tors. theta energy: -85.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -764.489662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.489662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.489662 (E_RNA) where: Base-Base interactions energy: -478.148 where: short stacking energy: -220.988 Base-Backbone interact. energy: -0.880 local terms energy: -285.461887 where: bonds (distance) C4'-P energy: -57.826 bonds (distance) P-C4' energy: -80.738 flat angles C4'-P-C4' energy: -70.663 flat angles P-C4'-P energy: -34.804 tors. eta vs tors. theta energy: -41.431 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: 8 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -356.355231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.355231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.355231 (E_RNA) where: Base-Base interactions energy: -139.133 where: short stacking energy: -107.406 Base-Backbone interact. energy: 9.356 local terms energy: -226.578090 where: bonds (distance) C4'-P energy: -51.703 bonds (distance) P-C4' energy: -70.664 flat angles C4'-P-C4' energy: -69.872 flat angles P-C4'-P energy: -31.402 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: 1 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -409.478466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.478466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.478466 (E_RNA) where: Base-Base interactions energy: -203.384 where: short stacking energy: -127.026 Base-Backbone interact. energy: -0.689 local terms energy: -205.404889 where: bonds (distance) C4'-P energy: -56.523 bonds (distance) P-C4' energy: -60.411 flat angles C4'-P-C4' energy: -66.424 flat angles P-C4'-P energy: -24.903 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: 6 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1417.051747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.051747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.051747 (E_RNA) where: Base-Base interactions energy: -998.181 where: short stacking energy: -422.889 Base-Backbone interact. energy: -3.051 local terms energy: -415.819782 where: bonds (distance) C4'-P energy: -75.190 bonds (distance) P-C4' energy: -71.562 flat angles C4'-P-C4' energy: -90.723 flat angles P-C4'-P energy: -59.511 tors. eta vs tors. theta energy: -118.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1376.683925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.683925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.683925 (E_RNA) where: Base-Base interactions energy: -974.907 where: short stacking energy: -403.983 Base-Backbone interact. energy: -1.533 local terms energy: -400.244207 where: bonds (distance) C4'-P energy: -73.862 bonds (distance) P-C4' energy: -70.817 flat angles C4'-P-C4' energy: -87.968 flat angles P-C4'-P energy: -47.721 tors. eta vs tors. theta energy: -119.876 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: 10 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1323.701709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.701709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.701709 (E_RNA) where: Base-Base interactions energy: -912.726 where: short stacking energy: -402.166 Base-Backbone interact. energy: -0.370 local terms energy: -410.606012 where: bonds (distance) C4'-P energy: -69.854 bonds (distance) P-C4' energy: -73.994 flat angles C4'-P-C4' energy: -85.886 flat angles P-C4'-P energy: -59.058 tors. eta vs tors. theta energy: -121.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1232.501964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.501964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.501964 (E_RNA) where: Base-Base interactions energy: -829.091 where: short stacking energy: -376.184 Base-Backbone interact. energy: -1.594 local terms energy: -401.816904 where: bonds (distance) C4'-P energy: -78.680 bonds (distance) P-C4' energy: -71.118 flat angles C4'-P-C4' energy: -83.302 flat angles P-C4'-P energy: -53.649 tors. eta vs tors. theta energy: -115.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1257.956238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.956238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.956238 (E_RNA) where: Base-Base interactions energy: -895.959 where: short stacking energy: -368.394 Base-Backbone interact. energy: 0.959 local terms energy: -362.955706 where: bonds (distance) C4'-P energy: -71.864 bonds (distance) P-C4' energy: -72.089 flat angles C4'-P-C4' energy: -67.474 flat angles P-C4'-P energy: -42.197 tors. eta vs tors. theta energy: -109.332 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: 7 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1098.448110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.448110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.448110 (E_RNA) where: Base-Base interactions energy: -761.749 where: short stacking energy: -321.234 Base-Backbone interact. energy: -0.875 local terms energy: -335.824746 where: bonds (distance) C4'-P energy: -68.009 bonds (distance) P-C4' energy: -57.746 flat angles C4'-P-C4' energy: -70.548 flat angles P-C4'-P energy: -55.615 tors. eta vs tors. theta energy: -83.907 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: 9 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1035.356598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.356598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.356598 (E_RNA) where: Base-Base interactions energy: -699.347 where: short stacking energy: -322.396 Base-Backbone interact. energy: 0.658 local terms energy: -336.667788 where: bonds (distance) C4'-P energy: -66.636 bonds (distance) P-C4' energy: -73.440 flat angles C4'-P-C4' energy: -73.417 flat angles P-C4'-P energy: -37.300 tors. eta vs tors. theta energy: -85.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -745.230112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.230112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.230112 (E_RNA) where: Base-Base interactions energy: -459.692 where: short stacking energy: -234.613 Base-Backbone interact. energy: -1.828 local terms energy: -283.709836 where: bonds (distance) C4'-P energy: -61.806 bonds (distance) P-C4' energy: -65.029 flat angles C4'-P-C4' energy: -61.249 flat angles P-C4'-P energy: -51.730 tors. eta vs tors. theta energy: -43.897 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: 1 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -445.134149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.134149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.134149 (E_RNA) where: Base-Base interactions energy: -229.582 where: short stacking energy: -139.855 Base-Backbone interact. energy: -0.301 local terms energy: -215.251149 where: bonds (distance) C4'-P energy: -60.038 bonds (distance) P-C4' energy: -66.984 flat angles C4'-P-C4' energy: -59.577 flat angles P-C4'-P energy: -35.062 tors. eta vs tors. theta energy: 6.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -310.601435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.601435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.601435 (E_RNA) where: Base-Base interactions energy: -101.472 where: short stacking energy: -77.150 Base-Backbone interact. energy: -1.146 local terms energy: -207.983181 where: bonds (distance) C4'-P energy: -68.955 bonds (distance) P-C4' energy: -64.946 flat angles C4'-P-C4' energy: -55.112 flat angles P-C4'-P energy: -31.355 tors. eta vs tors. theta energy: 12.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1397.403787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.403787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.403787 (E_RNA) where: Base-Base interactions energy: -968.867 where: short stacking energy: -417.612 Base-Backbone interact. energy: -2.139 local terms energy: -426.397815 where: bonds (distance) C4'-P energy: -77.616 bonds (distance) P-C4' energy: -76.542 flat angles C4'-P-C4' energy: -93.222 flat angles P-C4'-P energy: -54.973 tors. eta vs tors. theta energy: -124.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1371.972429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.972429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.972429 (E_RNA) where: Base-Base interactions energy: -937.990 where: short stacking energy: -394.626 Base-Backbone interact. energy: -1.933 local terms energy: -432.048585 where: bonds (distance) C4'-P energy: -82.211 bonds (distance) P-C4' energy: -89.942 flat angles C4'-P-C4' energy: -88.922 flat angles P-C4'-P energy: -52.951 tors. eta vs tors. theta energy: -118.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1306.428407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.428407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.428407 (E_RNA) where: Base-Base interactions energy: -915.629 where: short stacking energy: -408.557 Base-Backbone interact. energy: 0.137 local terms energy: -390.936813 where: bonds (distance) C4'-P energy: -72.086 bonds (distance) P-C4' energy: -72.124 flat angles C4'-P-C4' energy: -87.629 flat angles P-C4'-P energy: -45.219 tors. eta vs tors. theta energy: -113.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1219.958254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.958254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.958254 (E_RNA) where: Base-Base interactions energy: -838.669 where: short stacking energy: -362.935 Base-Backbone interact. energy: -2.555 local terms energy: -378.734198 where: bonds (distance) C4'-P energy: -69.263 bonds (distance) P-C4' energy: -62.151 flat angles C4'-P-C4' energy: -80.988 flat angles P-C4'-P energy: -59.765 tors. eta vs tors. theta energy: -106.567 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: 5, replica: 3 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1256.957162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.957162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.957162 (E_RNA) where: Base-Base interactions energy: -872.947 where: short stacking energy: -375.862 Base-Backbone interact. energy: 0.711 local terms energy: -384.721268 where: bonds (distance) C4'-P energy: -64.162 bonds (distance) P-C4' energy: -77.980 flat angles C4'-P-C4' energy: -83.285 flat angles P-C4'-P energy: -48.227 tors. eta vs tors. theta energy: -111.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1076.871279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.871279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.871279 (E_RNA) where: Base-Base interactions energy: -705.503 where: short stacking energy: -318.245 Base-Backbone interact. energy: -0.550 local terms energy: -370.818400 where: bonds (distance) C4'-P energy: -78.178 bonds (distance) P-C4' energy: -75.277 flat angles C4'-P-C4' energy: -91.678 flat angles P-C4'-P energy: -46.062 tors. eta vs tors. theta energy: -79.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1099.946486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.946486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.946486 (E_RNA) where: Base-Base interactions energy: -748.030 where: short stacking energy: -336.675 Base-Backbone interact. energy: -0.567 local terms energy: -351.349956 where: bonds (distance) C4'-P energy: -70.664 bonds (distance) P-C4' energy: -67.043 flat angles C4'-P-C4' energy: -70.115 flat angles P-C4'-P energy: -44.129 tors. eta vs tors. theta energy: -99.400 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: 8, replica: 5 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -732.245834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.245834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.245834 (E_RNA) where: Base-Base interactions energy: -472.374 where: short stacking energy: -215.877 Base-Backbone interact. energy: -0.109 local terms energy: -259.762237 where: bonds (distance) C4'-P energy: -65.674 bonds (distance) P-C4' energy: -54.674 flat angles C4'-P-C4' energy: -67.597 flat angles P-C4'-P energy: -37.959 tors. eta vs tors. theta energy: -33.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -414.461207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.461207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.461207 (E_RNA) where: Base-Base interactions energy: -205.009 where: short stacking energy: -119.724 Base-Backbone interact. energy: 5.776 local terms energy: -215.227812 where: bonds (distance) C4'-P energy: -46.442 bonds (distance) P-C4' energy: -70.850 flat angles C4'-P-C4' energy: -64.164 flat angles P-C4'-P energy: -36.817 tors. eta vs tors. theta energy: 3.045 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: 429 Temperature: 1.350000 Total energy: -335.272902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.272902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.272902 (E_RNA) where: Base-Base interactions energy: -111.401 where: short stacking energy: -95.197 Base-Backbone interact. energy: -2.033 local terms energy: -221.838716 where: bonds (distance) C4'-P energy: -69.895 bonds (distance) P-C4' energy: -67.555 flat angles C4'-P-C4' energy: -55.753 flat angles P-C4'-P energy: -31.570 tors. eta vs tors. theta energy: 2.933 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: 4 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1403.494923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.494923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.494923 (E_RNA) where: Base-Base interactions energy: -988.219 where: short stacking energy: -423.424 Base-Backbone interact. energy: -1.513 local terms energy: -413.762711 where: bonds (distance) C4'-P energy: -66.950 bonds (distance) P-C4' energy: -68.073 flat angles C4'-P-C4' energy: -90.785 flat angles P-C4'-P energy: -61.547 tors. eta vs tors. theta energy: -126.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1395.930360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.930360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.930360 (E_RNA) where: Base-Base interactions energy: -958.959 where: short stacking energy: -410.500 Base-Backbone interact. energy: -2.575 local terms energy: -434.396123 where: bonds (distance) C4'-P energy: -82.809 bonds (distance) P-C4' energy: -74.543 flat angles C4'-P-C4' energy: -93.968 flat angles P-C4'-P energy: -55.854 tors. eta vs tors. theta energy: -127.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1292.633943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.633943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.633943 (E_RNA) where: Base-Base interactions energy: -879.028 where: short stacking energy: -383.509 Base-Backbone interact. energy: -0.991 local terms energy: -412.614492 where: bonds (distance) C4'-P energy: -75.792 bonds (distance) P-C4' energy: -67.334 flat angles C4'-P-C4' energy: -89.986 flat angles P-C4'-P energy: -54.633 tors. eta vs tors. theta energy: -124.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1234.658959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.658959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.658959 (E_RNA) where: Base-Base interactions energy: -826.498 where: short stacking energy: -379.454 Base-Backbone interact. energy: -0.366 local terms energy: -407.794832 where: bonds (distance) C4'-P energy: -71.713 bonds (distance) P-C4' energy: -82.777 flat angles C4'-P-C4' energy: -87.280 flat angles P-C4'-P energy: -49.717 tors. eta vs tors. theta energy: -116.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1228.933582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.933582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.933582 (E_RNA) where: Base-Base interactions energy: -847.078 where: short stacking energy: -364.043 Base-Backbone interact. energy: -1.204 local terms energy: -380.652326 where: bonds (distance) C4'-P energy: -75.450 bonds (distance) P-C4' energy: -60.186 flat angles C4'-P-C4' energy: -83.166 flat angles P-C4'-P energy: -57.024 tors. eta vs tors. theta energy: -104.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1113.936618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.936618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.936618 (E_RNA) where: Base-Base interactions energy: -752.870 where: short stacking energy: -334.113 Base-Backbone interact. energy: -0.615 local terms energy: -360.451599 where: bonds (distance) C4'-P energy: -75.417 bonds (distance) P-C4' energy: -70.684 flat angles C4'-P-C4' energy: -78.772 flat angles P-C4'-P energy: -51.518 tors. eta vs tors. theta energy: -84.061 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: 9 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1030.454239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.454239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.454239 (E_RNA) where: Base-Base interactions energy: -692.962 where: short stacking energy: -311.332 Base-Backbone interact. energy: 5.516 local terms energy: -343.008351 where: bonds (distance) C4'-P energy: -62.712 bonds (distance) P-C4' energy: -60.758 flat angles C4'-P-C4' energy: -71.297 flat angles P-C4'-P energy: -54.651 tors. eta vs tors. theta energy: -93.591 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: 8, replica: 5 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -704.092562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.092562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.092562 (E_RNA) where: Base-Base interactions energy: -458.247 where: short stacking energy: -215.037 Base-Backbone interact. energy: 0.500 local terms energy: -246.345686 where: bonds (distance) C4'-P energy: -60.046 bonds (distance) P-C4' energy: -59.220 flat angles C4'-P-C4' energy: -66.105 flat angles P-C4'-P energy: -38.103 tors. eta vs tors. theta energy: -22.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -342.246768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.246768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.246768 (E_RNA) where: Base-Base interactions energy: -134.726 where: short stacking energy: -98.610 Base-Backbone interact. energy: 2.881 local terms energy: -210.400997 where: bonds (distance) C4'-P energy: -66.211 bonds (distance) P-C4' energy: -73.541 flat angles C4'-P-C4' energy: -50.681 flat angles P-C4'-P energy: -29.570 tors. eta vs tors. theta energy: 9.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -397.319078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.319078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.319078 (E_RNA) where: Base-Base interactions energy: -181.678 where: short stacking energy: -119.448 Base-Backbone interact. energy: -1.213 local terms energy: -214.428364 where: bonds (distance) C4'-P energy: -60.851 bonds (distance) P-C4' energy: -69.254 flat angles C4'-P-C4' energy: -57.626 flat angles P-C4'-P energy: -28.182 tors. eta vs tors. theta energy: 1.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1407.125097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.125097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.125097 (E_RNA) where: Base-Base interactions energy: -969.518 where: short stacking energy: -404.948 Base-Backbone interact. energy: -0.392 local terms energy: -437.214893 where: bonds (distance) C4'-P energy: -79.888 bonds (distance) P-C4' energy: -86.444 flat angles C4'-P-C4' energy: -88.519 flat angles P-C4'-P energy: -63.481 tors. eta vs tors. theta energy: -118.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1405.900205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.900205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.900205 (E_RNA) where: Base-Base interactions energy: -985.752 where: short stacking energy: -421.595 Base-Backbone interact. energy: 0.834 local terms energy: -420.981726 where: bonds (distance) C4'-P energy: -65.867 bonds (distance) P-C4' energy: -73.130 flat angles C4'-P-C4' energy: -93.255 flat angles P-C4'-P energy: -58.904 tors. eta vs tors. theta energy: -129.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1310.249311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.249311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.249311 (E_RNA) where: Base-Base interactions energy: -898.453 where: short stacking energy: -390.756 Base-Backbone interact. energy: -0.823 local terms energy: -410.973492 where: bonds (distance) C4'-P energy: -67.605 bonds (distance) P-C4' energy: -72.798 flat angles C4'-P-C4' energy: -77.604 flat angles P-C4'-P energy: -66.811 tors. eta vs tors. theta energy: -126.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1267.364479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.364479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.364479 (E_RNA) where: Base-Base interactions energy: -883.138 where: short stacking energy: -367.602 Base-Backbone interact. energy: -1.898 local terms energy: -382.328565 where: bonds (distance) C4'-P energy: -67.374 bonds (distance) P-C4' energy: -73.799 flat angles C4'-P-C4' energy: -88.017 flat angles P-C4'-P energy: -46.499 tors. eta vs tors. theta energy: -106.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1193.345281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.345281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.345281 (E_RNA) where: Base-Base interactions energy: -810.543 where: short stacking energy: -370.814 Base-Backbone interact. energy: -0.512 local terms energy: -382.291257 where: bonds (distance) C4'-P energy: -54.996 bonds (distance) P-C4' energy: -79.716 flat angles C4'-P-C4' energy: -84.020 flat angles P-C4'-P energy: -54.290 tors. eta vs tors. theta energy: -109.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1080.306025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.306025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.306025 (E_RNA) where: Base-Base interactions energy: -732.356 where: short stacking energy: -320.815 Base-Backbone interact. energy: -2.214 local terms energy: -345.736254 where: bonds (distance) C4'-P energy: -61.925 bonds (distance) P-C4' energy: -76.679 flat angles C4'-P-C4' energy: -79.713 flat angles P-C4'-P energy: -50.290 tors. eta vs tors. theta energy: -77.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1032.639421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.639421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.639421 (E_RNA) where: Base-Base interactions energy: -690.903 where: short stacking energy: -298.871 Base-Backbone interact. energy: -1.258 local terms energy: -340.478442 where: bonds (distance) C4'-P energy: -68.604 bonds (distance) P-C4' energy: -64.795 flat angles C4'-P-C4' energy: -84.605 flat angles P-C4'-P energy: -38.747 tors. eta vs tors. theta energy: -83.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -644.596010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.596010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.596010 (E_RNA) where: Base-Base interactions energy: -373.223 where: short stacking energy: -195.484 Base-Backbone interact. energy: 0.158 local terms energy: -271.531518 where: bonds (distance) C4'-P energy: -65.040 bonds (distance) P-C4' energy: -74.957 flat angles C4'-P-C4' energy: -56.441 flat angles P-C4'-P energy: -39.497 tors. eta vs tors. theta energy: -35.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -368.224061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.224061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.224061 (E_RNA) where: Base-Base interactions energy: -137.205 where: short stacking energy: -102.914 Base-Backbone interact. energy: 0.799 local terms energy: -231.818885 where: bonds (distance) C4'-P energy: -56.722 bonds (distance) P-C4' energy: -65.141 flat angles C4'-P-C4' energy: -63.625 flat angles P-C4'-P energy: -55.802 tors. eta vs tors. theta energy: 9.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -361.566661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.566661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.566661 (E_RNA) where: Base-Base interactions energy: -159.450 where: short stacking energy: -117.464 Base-Backbone interact. energy: -0.424 local terms energy: -201.693106 where: bonds (distance) C4'-P energy: -55.694 bonds (distance) P-C4' energy: -59.295 flat angles C4'-P-C4' energy: -54.647 flat angles P-C4'-P energy: -27.799 tors. eta vs tors. theta energy: -4.257 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: 6 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1418.719872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.719872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.719872 (E_RNA) where: Base-Base interactions energy: -991.361 where: short stacking energy: -435.041 Base-Backbone interact. energy: 0.215 local terms energy: -427.573574 where: bonds (distance) C4'-P energy: -70.485 bonds (distance) P-C4' energy: -76.635 flat angles C4'-P-C4' energy: -98.835 flat angles P-C4'-P energy: -59.184 tors. eta vs tors. theta energy: -122.434 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: 4 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1368.736592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.736592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.736592 (E_RNA) where: Base-Base interactions energy: -958.172 where: short stacking energy: -421.062 Base-Backbone interact. energy: -1.455 local terms energy: -409.110122 where: bonds (distance) C4'-P energy: -62.606 bonds (distance) P-C4' energy: -79.065 flat angles C4'-P-C4' energy: -88.687 flat angles P-C4'-P energy: -57.014 tors. eta vs tors. theta energy: -121.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1319.727945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.727945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.727945 (E_RNA) where: Base-Base interactions energy: -918.791 where: short stacking energy: -384.790 Base-Backbone interact. energy: -0.448 local terms energy: -400.489278 where: bonds (distance) C4'-P energy: -75.426 bonds (distance) P-C4' energy: -82.919 flat angles C4'-P-C4' energy: -87.110 flat angles P-C4'-P energy: -53.013 tors. eta vs tors. theta energy: -102.021 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: 10 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1269.117158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.117158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.117158 (E_RNA) where: Base-Base interactions energy: -859.538 where: short stacking energy: -379.276 Base-Backbone interact. energy: -0.123 local terms energy: -409.456536 where: bonds (distance) C4'-P energy: -77.999 bonds (distance) P-C4' energy: -69.884 flat angles C4'-P-C4' energy: -94.704 flat angles P-C4'-P energy: -54.949 tors. eta vs tors. theta energy: -111.921 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: 2 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1213.580603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.580603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.580603 (E_RNA) where: Base-Base interactions energy: -824.949 where: short stacking energy: -366.064 Base-Backbone interact. energy: -0.530 local terms energy: -388.101321 where: bonds (distance) C4'-P energy: -62.120 bonds (distance) P-C4' energy: -73.765 flat angles C4'-P-C4' energy: -85.932 flat angles P-C4'-P energy: -56.870 tors. eta vs tors. theta energy: -109.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -983.857196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.857196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.857196 (E_RNA) where: Base-Base interactions energy: -635.300 where: short stacking energy: -279.644 Base-Backbone interact. energy: 0.726 local terms energy: -349.282766 where: bonds (distance) C4'-P energy: -71.623 bonds (distance) P-C4' energy: -74.690 flat angles C4'-P-C4' energy: -72.102 flat angles P-C4'-P energy: -52.584 tors. eta vs tors. theta energy: -78.284 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: 9 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1024.785963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.785963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.785963 (E_RNA) where: Base-Base interactions energy: -685.595 where: short stacking energy: -283.426 Base-Backbone interact. energy: -1.436 local terms energy: -337.754299 where: bonds (distance) C4'-P energy: -54.820 bonds (distance) P-C4' energy: -83.897 flat angles C4'-P-C4' energy: -68.747 flat angles P-C4'-P energy: -50.677 tors. eta vs tors. theta energy: -79.613 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: 5 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -657.075880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.075880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.075880 (E_RNA) where: Base-Base interactions energy: -388.445 where: short stacking energy: -198.255 Base-Backbone interact. energy: 0.606 local terms energy: -269.236859 where: bonds (distance) C4'-P energy: -73.335 bonds (distance) P-C4' energy: -69.915 flat angles C4'-P-C4' energy: -54.067 flat angles P-C4'-P energy: -31.561 tors. eta vs tors. theta energy: -40.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -426.315610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.315610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.315610 (E_RNA) where: Base-Base interactions energy: -206.849 where: short stacking energy: -146.789 Base-Backbone interact. energy: -1.055 local terms energy: -218.411495 where: bonds (distance) C4'-P energy: -57.119 bonds (distance) P-C4' energy: -58.962 flat angles C4'-P-C4' energy: -66.852 flat angles P-C4'-P energy: -26.038 tors. eta vs tors. theta energy: -9.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -342.801993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.801993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.801993 (E_RNA) where: Base-Base interactions energy: -120.401 where: short stacking energy: -109.248 Base-Backbone interact. energy: -1.021 local terms energy: -221.380178 where: bonds (distance) C4'-P energy: -58.494 bonds (distance) P-C4' energy: -67.295 flat angles C4'-P-C4' energy: -59.979 flat angles P-C4'-P energy: -42.883 tors. eta vs tors. theta energy: 7.271 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: 433 Temperature: 0.900000 Total energy: -1416.856064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.856064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.856064 (E_RNA) where: Base-Base interactions energy: -994.901 where: short stacking energy: -413.041 Base-Backbone interact. energy: -0.167 local terms energy: -421.787528 where: bonds (distance) C4'-P energy: -78.674 bonds (distance) P-C4' energy: -77.500 flat angles C4'-P-C4' energy: -86.360 flat angles P-C4'-P energy: -58.105 tors. eta vs tors. theta energy: -121.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1392.227600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.227600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.227600 (E_RNA) where: Base-Base interactions energy: -966.778 where: short stacking energy: -417.221 Base-Backbone interact. energy: -2.597 local terms energy: -422.852104 where: bonds (distance) C4'-P energy: -71.152 bonds (distance) P-C4' energy: -76.118 flat angles C4'-P-C4' energy: -88.259 flat angles P-C4'-P energy: -58.552 tors. eta vs tors. theta energy: -128.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1319.348941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.348941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.348941 (E_RNA) where: Base-Base interactions energy: -915.037 where: short stacking energy: -378.853 Base-Backbone interact. energy: 0.156 local terms energy: -404.467772 where: bonds (distance) C4'-P energy: -70.067 bonds (distance) P-C4' energy: -76.539 flat angles C4'-P-C4' energy: -84.162 flat angles P-C4'-P energy: -56.689 tors. eta vs tors. theta energy: -117.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1258.240270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.240270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.240270 (E_RNA) where: Base-Base interactions energy: -856.114 where: short stacking energy: -368.373 Base-Backbone interact. energy: 1.355 local terms energy: -403.480928 where: bonds (distance) C4'-P energy: -70.847 bonds (distance) P-C4' energy: -78.947 flat angles C4'-P-C4' energy: -80.141 flat angles P-C4'-P energy: -59.891 tors. eta vs tors. theta energy: -113.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1204.387737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.387737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.387737 (E_RNA) where: Base-Base interactions energy: -818.820 where: short stacking energy: -355.061 Base-Backbone interact. energy: -0.609 local terms energy: -384.958538 where: bonds (distance) C4'-P energy: -67.327 bonds (distance) P-C4' energy: -74.253 flat angles C4'-P-C4' energy: -82.711 flat angles P-C4'-P energy: -55.768 tors. eta vs tors. theta energy: -104.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1059.150015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.150015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.150015 (E_RNA) where: Base-Base interactions energy: -702.518 where: short stacking energy: -293.356 Base-Backbone interact. energy: -0.867 local terms energy: -355.764841 where: bonds (distance) C4'-P energy: -81.658 bonds (distance) P-C4' energy: -68.147 flat angles C4'-P-C4' energy: -81.457 flat angles P-C4'-P energy: -45.621 tors. eta vs tors. theta energy: -78.881 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: 7 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -957.883558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.883558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.883558 (E_RNA) where: Base-Base interactions energy: -640.930 where: short stacking energy: -296.193 Base-Backbone interact. energy: -2.733 local terms energy: -314.219867 where: bonds (distance) C4'-P energy: -47.411 bonds (distance) P-C4' energy: -80.744 flat angles C4'-P-C4' energy: -68.855 flat angles P-C4'-P energy: -49.626 tors. eta vs tors. theta energy: -67.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -662.554232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.554232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.554232 (E_RNA) where: Base-Base interactions energy: -413.835 where: short stacking energy: -197.220 Base-Backbone interact. energy: 1.012 local terms energy: -249.731496 where: bonds (distance) C4'-P energy: -73.198 bonds (distance) P-C4' energy: -59.849 flat angles C4'-P-C4' energy: -61.941 flat angles P-C4'-P energy: -37.713 tors. eta vs tors. theta energy: -17.032 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: 9, replica: 1 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -462.957194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.957194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.957194 (E_RNA) where: Base-Base interactions energy: -246.971 where: short stacking energy: -122.952 Base-Backbone interact. energy: 0.039 local terms energy: -216.025646 where: bonds (distance) C4'-P energy: -59.969 bonds (distance) P-C4' energy: -63.603 flat angles C4'-P-C4' energy: -56.200 flat angles P-C4'-P energy: -22.458 tors. eta vs tors. theta energy: -13.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -344.081882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.081882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.081882 (E_RNA) where: Base-Base interactions energy: -132.680 where: short stacking energy: -95.254 Base-Backbone interact. energy: 1.451 local terms energy: -212.853264 where: bonds (distance) C4'-P energy: -65.902 bonds (distance) P-C4' energy: -70.557 flat angles C4'-P-C4' energy: -47.132 flat angles P-C4'-P energy: -29.578 tors. eta vs tors. theta energy: 0.316 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: 6 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1400.509720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.509720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.509720 (E_RNA) where: Base-Base interactions energy: -967.930 where: short stacking energy: -417.665 Base-Backbone interact. energy: 0.079 local terms energy: -432.658591 where: bonds (distance) C4'-P energy: -80.039 bonds (distance) P-C4' energy: -84.255 flat angles C4'-P-C4' energy: -86.702 flat angles P-C4'-P energy: -59.511 tors. eta vs tors. theta energy: -122.152 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: 434 Temperature: 0.950000 Total energy: -1374.301318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.301318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.301318 (E_RNA) where: Base-Base interactions energy: -949.797 where: short stacking energy: -415.382 Base-Backbone interact. energy: -1.690 local terms energy: -422.814000 where: bonds (distance) C4'-P energy: -76.118 bonds (distance) P-C4' energy: -74.500 flat angles C4'-P-C4' energy: -87.794 flat angles P-C4'-P energy: -59.527 tors. eta vs tors. theta energy: -124.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1289.334561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.334561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.334561 (E_RNA) where: Base-Base interactions energy: -894.096 where: short stacking energy: -386.472 Base-Backbone interact. energy: 0.162 local terms energy: -395.401312 where: bonds (distance) C4'-P energy: -63.042 bonds (distance) P-C4' energy: -91.373 flat angles C4'-P-C4' energy: -71.445 flat angles P-C4'-P energy: -60.918 tors. eta vs tors. theta energy: -108.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1266.037526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.037526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.037526 (E_RNA) where: Base-Base interactions energy: -874.185 where: short stacking energy: -383.640 Base-Backbone interact. energy: -0.867 local terms energy: -390.985813 where: bonds (distance) C4'-P energy: -70.460 bonds (distance) P-C4' energy: -74.836 flat angles C4'-P-C4' energy: -84.382 flat angles P-C4'-P energy: -47.694 tors. eta vs tors. theta energy: -113.615 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: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1215.132690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.132690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.132690 (E_RNA) where: Base-Base interactions energy: -824.054 where: short stacking energy: -354.534 Base-Backbone interact. energy: 1.187 local terms energy: -392.266079 where: bonds (distance) C4'-P energy: -61.242 bonds (distance) P-C4' energy: -74.579 flat angles C4'-P-C4' energy: -80.431 flat angles P-C4'-P energy: -61.406 tors. eta vs tors. theta energy: -114.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1002.116271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.116271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.116271 (E_RNA) where: Base-Base interactions energy: -662.200 where: short stacking energy: -306.713 Base-Backbone interact. energy: 2.643 local terms energy: -342.559695 where: bonds (distance) C4'-P energy: -72.478 bonds (distance) P-C4' energy: -67.643 flat angles C4'-P-C4' energy: -75.764 flat angles P-C4'-P energy: -48.932 tors. eta vs tors. theta energy: -77.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -838.546988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.546988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.546988 (E_RNA) where: Base-Base interactions energy: -520.847 where: short stacking energy: -244.004 Base-Backbone interact. energy: -0.314 local terms energy: -317.385362 where: bonds (distance) C4'-P energy: -72.015 bonds (distance) P-C4' energy: -77.427 flat angles C4'-P-C4' energy: -63.129 flat angles P-C4'-P energy: -49.692 tors. eta vs tors. theta energy: -55.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -655.214179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.214179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.214179 (E_RNA) where: Base-Base interactions energy: -376.143 where: short stacking energy: -182.078 Base-Backbone interact. energy: 4.406 local terms energy: -283.476739 where: bonds (distance) C4'-P energy: -69.433 bonds (distance) P-C4' energy: -62.339 flat angles C4'-P-C4' energy: -77.879 flat angles P-C4'-P energy: -46.119 tors. eta vs tors. theta energy: -27.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -428.303059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.303059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.303059 (E_RNA) where: Base-Base interactions energy: -207.603 where: short stacking energy: -149.570 Base-Backbone interact. energy: 3.875 local terms energy: -224.575441 where: bonds (distance) C4'-P energy: -49.425 bonds (distance) P-C4' energy: -66.644 flat angles C4'-P-C4' energy: -64.541 flat angles P-C4'-P energy: -28.597 tors. eta vs tors. theta energy: -15.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -323.202874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.202874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.202874 (E_RNA) where: Base-Base interactions energy: -117.628 where: short stacking energy: -85.631 Base-Backbone interact. energy: 0.657 local terms energy: -206.231847 where: bonds (distance) C4'-P energy: -68.084 bonds (distance) P-C4' energy: -59.948 flat angles C4'-P-C4' energy: -62.978 flat angles P-C4'-P energy: -28.285 tors. eta vs tors. theta energy: 13.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1408.938705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.938705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.938705 (E_RNA) where: Base-Base interactions energy: -981.769 where: short stacking energy: -416.226 Base-Backbone interact. energy: -1.843 local terms energy: -425.327293 where: bonds (distance) C4'-P energy: -80.402 bonds (distance) P-C4' energy: -75.606 flat angles C4'-P-C4' energy: -86.403 flat angles P-C4'-P energy: -62.561 tors. eta vs tors. theta energy: -120.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1376.602393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.602393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.602393 (E_RNA) where: Base-Base interactions energy: -960.683 where: short stacking energy: -409.760 Base-Backbone interact. energy: -1.532 local terms energy: -414.387825 where: bonds (distance) C4'-P energy: -73.567 bonds (distance) P-C4' energy: -76.153 flat angles C4'-P-C4' energy: -83.677 flat angles P-C4'-P energy: -65.141 tors. eta vs tors. theta energy: -115.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1278.016829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.016829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.016829 (E_RNA) where: Base-Base interactions energy: -896.310 where: short stacking energy: -380.252 Base-Backbone interact. energy: -1.637 local terms energy: -380.069621 where: bonds (distance) C4'-P energy: -63.865 bonds (distance) P-C4' energy: -72.681 flat angles C4'-P-C4' energy: -77.983 flat angles P-C4'-P energy: -61.588 tors. eta vs tors. theta energy: -103.953 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: 10 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1264.537235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.537235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.537235 (E_RNA) where: Base-Base interactions energy: -859.763 where: short stacking energy: -391.819 Base-Backbone interact. energy: 0.110 local terms energy: -404.883742 where: bonds (distance) C4'-P energy: -69.208 bonds (distance) P-C4' energy: -81.975 flat angles C4'-P-C4' energy: -84.610 flat angles P-C4'-P energy: -58.702 tors. eta vs tors. theta energy: -110.389 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: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1206.387777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.387777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.387777 (E_RNA) where: Base-Base interactions energy: -824.038 where: short stacking energy: -360.713 Base-Backbone interact. energy: -1.130 local terms energy: -381.219976 where: bonds (distance) C4'-P energy: -69.156 bonds (distance) P-C4' energy: -72.395 flat angles C4'-P-C4' energy: -87.595 flat angles P-C4'-P energy: -51.486 tors. eta vs tors. theta energy: -100.588 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: 435 Temperature: 1.150000 Total energy: -971.424461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.424461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.424461 (E_RNA) where: Base-Base interactions energy: -622.322 where: short stacking energy: -287.870 Base-Backbone interact. energy: -1.732 local terms energy: -347.370286 where: bonds (distance) C4'-P energy: -74.555 bonds (distance) P-C4' energy: -78.308 flat angles C4'-P-C4' energy: -80.881 flat angles P-C4'-P energy: -40.284 tors. eta vs tors. theta energy: -73.343 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: 7 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -755.060567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.060567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.060567 (E_RNA) where: Base-Base interactions energy: -474.307 where: short stacking energy: -215.709 Base-Backbone interact. energy: -0.982 local terms energy: -279.771414 where: bonds (distance) C4'-P energy: -58.601 bonds (distance) P-C4' energy: -59.888 flat angles C4'-P-C4' energy: -65.078 flat angles P-C4'-P energy: -41.208 tors. eta vs tors. theta energy: -54.996 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: 8, replica: 5 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -679.555774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.555774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.555774 (E_RNA) where: Base-Base interactions energy: -411.147 where: short stacking energy: -180.040 Base-Backbone interact. energy: -0.309 local terms energy: -268.099888 where: bonds (distance) C4'-P energy: -69.948 bonds (distance) P-C4' energy: -80.557 flat angles C4'-P-C4' energy: -58.796 flat angles P-C4'-P energy: -43.858 tors. eta vs tors. theta energy: -14.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -436.550657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.550657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.550657 (E_RNA) where: Base-Base interactions energy: -206.651 where: short stacking energy: -123.384 Base-Backbone interact. energy: -1.501 local terms energy: -228.398442 where: bonds (distance) C4'-P energy: -67.150 bonds (distance) P-C4' energy: -71.102 flat angles C4'-P-C4' energy: -58.375 flat angles P-C4'-P energy: -26.537 tors. eta vs tors. theta energy: -5.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -315.232295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.232295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.232295 (E_RNA) where: Base-Base interactions energy: -130.319 where: short stacking energy: -98.729 Base-Backbone interact. energy: 1.069 local terms energy: -185.982029 where: bonds (distance) C4'-P energy: -52.923 bonds (distance) P-C4' energy: -72.575 flat angles C4'-P-C4' energy: -44.196 flat angles P-C4'-P energy: -38.801 tors. eta vs tors. theta energy: 22.512 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: 4 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1397.603750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.603750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.603750 (E_RNA) where: Base-Base interactions energy: -969.576 where: short stacking energy: -418.951 Base-Backbone interact. energy: -1.113 local terms energy: -426.914561 where: bonds (distance) C4'-P energy: -78.476 bonds (distance) P-C4' energy: -80.341 flat angles C4'-P-C4' energy: -89.560 flat angles P-C4'-P energy: -57.614 tors. eta vs tors. theta energy: -120.924 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: 6 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1386.724490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.724490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.724490 (E_RNA) where: Base-Base interactions energy: -967.491 where: short stacking energy: -419.447 Base-Backbone interact. energy: -0.266 local terms energy: -418.967124 where: bonds (distance) C4'-P energy: -61.006 bonds (distance) P-C4' energy: -80.297 flat angles C4'-P-C4' energy: -93.683 flat angles P-C4'-P energy: -57.140 tors. eta vs tors. theta energy: -126.842 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: 3, replica: 3 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1282.842478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.842478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.842478 (E_RNA) where: Base-Base interactions energy: -869.421 where: short stacking energy: -365.348 Base-Backbone interact. energy: -2.494 local terms energy: -410.927117 where: bonds (distance) C4'-P energy: -69.663 bonds (distance) P-C4' energy: -87.479 flat angles C4'-P-C4' energy: -83.934 flat angles P-C4'-P energy: -54.473 tors. eta vs tors. theta energy: -115.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1273.092633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.092633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.092633 (E_RNA) where: Base-Base interactions energy: -878.558 where: short stacking energy: -363.044 Base-Backbone interact. energy: -0.259 local terms energy: -394.274999 where: bonds (distance) C4'-P energy: -83.043 bonds (distance) P-C4' energy: -83.587 flat angles C4'-P-C4' energy: -79.249 flat angles P-C4'-P energy: -47.995 tors. eta vs tors. theta energy: -100.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1187.360731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.360731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.360731 (E_RNA) where: Base-Base interactions energy: -805.292 where: short stacking energy: -357.477 Base-Backbone interact. energy: 1.558 local terms energy: -383.626827 where: bonds (distance) C4'-P energy: -63.481 bonds (distance) P-C4' energy: -69.540 flat angles C4'-P-C4' energy: -76.704 flat angles P-C4'-P energy: -63.138 tors. eta vs tors. theta energy: -110.763 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: 9 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1014.515906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.515906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.515906 (E_RNA) where: Base-Base interactions energy: -675.186 where: short stacking energy: -290.470 Base-Backbone interact. energy: -3.245 local terms energy: -336.084644 where: bonds (distance) C4'-P energy: -74.192 bonds (distance) P-C4' energy: -66.894 flat angles C4'-P-C4' energy: -64.211 flat angles P-C4'-P energy: -53.091 tors. eta vs tors. theta energy: -77.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -820.546612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.546612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.546612 (E_RNA) where: Base-Base interactions energy: -511.151 where: short stacking energy: -236.549 Base-Backbone interact. energy: -0.488 local terms energy: -308.908216 where: bonds (distance) C4'-P energy: -68.217 bonds (distance) P-C4' energy: -68.416 flat angles C4'-P-C4' energy: -76.822 flat angles P-C4'-P energy: -39.892 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: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -702.314870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.314870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.314870 (E_RNA) where: Base-Base interactions energy: -425.603 where: short stacking energy: -204.321 Base-Backbone interact. energy: -2.136 local terms energy: -274.575200 where: bonds (distance) C4'-P energy: -66.441 bonds (distance) P-C4' energy: -57.957 flat angles C4'-P-C4' energy: -66.208 flat angles P-C4'-P energy: -36.504 tors. eta vs tors. theta energy: -47.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -427.592646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.592646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.592646 (E_RNA) where: Base-Base interactions energy: -187.624 where: short stacking energy: -128.116 Base-Backbone interact. energy: 1.715 local terms energy: -241.683634 where: bonds (distance) C4'-P energy: -66.289 bonds (distance) P-C4' energy: -82.152 flat angles C4'-P-C4' energy: -55.215 flat angles P-C4'-P energy: -37.052 tors. eta vs tors. theta energy: -0.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -338.901289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.901289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.901289 (E_RNA) where: Base-Base interactions energy: -127.975 where: short stacking energy: -99.189 Base-Backbone interact. energy: -1.696 local terms energy: -209.229470 where: bonds (distance) C4'-P energy: -62.770 bonds (distance) P-C4' energy: -61.925 flat angles C4'-P-C4' energy: -62.428 flat angles P-C4'-P energy: -30.493 tors. eta vs tors. theta energy: 8.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1401.130398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.130398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.130398 (E_RNA) where: Base-Base interactions energy: -975.485 where: short stacking energy: -417.505 Base-Backbone interact. energy: -2.358 local terms energy: -423.287030 where: bonds (distance) C4'-P energy: -86.762 bonds (distance) P-C4' energy: -81.926 flat angles C4'-P-C4' energy: -82.012 flat angles P-C4'-P energy: -57.096 tors. eta vs tors. theta energy: -115.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1378.012432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.012432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.012432 (E_RNA) where: Base-Base interactions energy: -960.288 where: short stacking energy: -414.307 Base-Backbone interact. energy: -0.261 local terms energy: -417.463308 where: bonds (distance) C4'-P energy: -84.057 bonds (distance) P-C4' energy: -76.920 flat angles C4'-P-C4' energy: -92.488 flat angles P-C4'-P energy: -47.871 tors. eta vs tors. theta energy: -116.127 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: 3 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1289.522352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.522352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.522352 (E_RNA) where: Base-Base interactions energy: -893.166 where: short stacking energy: -387.704 Base-Backbone interact. energy: -0.123 local terms energy: -396.233282 where: bonds (distance) C4'-P energy: -60.041 bonds (distance) P-C4' energy: -72.818 flat angles C4'-P-C4' energy: -87.621 flat angles P-C4'-P energy: -62.030 tors. eta vs tors. theta energy: -113.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1219.666168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.666168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.666168 (E_RNA) where: Base-Base interactions energy: -821.268 where: short stacking energy: -368.077 Base-Backbone interact. energy: -1.335 local terms energy: -397.062536 where: bonds (distance) C4'-P energy: -66.272 bonds (distance) P-C4' energy: -83.525 flat angles C4'-P-C4' energy: -86.398 flat angles P-C4'-P energy: -47.494 tors. eta vs tors. theta energy: -113.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1240.182323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.182323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.182323 (E_RNA) where: Base-Base interactions energy: -860.896 where: short stacking energy: -381.835 Base-Backbone interact. energy: -0.720 local terms energy: -378.565670 where: bonds (distance) C4'-P energy: -79.733 bonds (distance) P-C4' energy: -54.598 flat angles C4'-P-C4' energy: -81.705 flat angles P-C4'-P energy: -49.311 tors. eta vs tors. theta energy: -113.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1028.634704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.634704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.634704 (E_RNA) where: Base-Base interactions energy: -676.381 where: short stacking energy: -282.882 Base-Backbone interact. energy: -2.058 local terms energy: -350.195233 where: bonds (distance) C4'-P energy: -62.075 bonds (distance) P-C4' energy: -79.782 flat angles C4'-P-C4' energy: -66.886 flat angles P-C4'-P energy: -64.160 tors. eta vs tors. theta energy: -77.293 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: 437 Temperature: 1.200000 Total energy: -799.004789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.004789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.004789 (E_RNA) where: Base-Base interactions energy: -503.496 where: short stacking energy: -254.123 Base-Backbone interact. energy: -1.099 local terms energy: -294.409548 where: bonds (distance) C4'-P energy: -64.960 bonds (distance) P-C4' energy: -60.269 flat angles C4'-P-C4' energy: -69.726 flat angles P-C4'-P energy: -36.021 tors. eta vs tors. theta energy: -63.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -716.278913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.278913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.278913 (E_RNA) where: Base-Base interactions energy: -444.985 where: short stacking energy: -201.838 Base-Backbone interact. energy: 1.185 local terms energy: -272.479395 where: bonds (distance) C4'-P energy: -57.392 bonds (distance) P-C4' energy: -69.206 flat angles C4'-P-C4' energy: -66.000 flat angles P-C4'-P energy: -33.879 tors. eta vs tors. theta energy: -46.002 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: 1 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -413.703319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.703319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.703319 (E_RNA) where: Base-Base interactions energy: -202.812 where: short stacking energy: -127.519 Base-Backbone interact. energy: 1.139 local terms energy: -212.030219 where: bonds (distance) C4'-P energy: -55.675 bonds (distance) P-C4' energy: -75.305 flat angles C4'-P-C4' energy: -53.032 flat angles P-C4'-P energy: -27.891 tors. eta vs tors. theta energy: -0.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -303.016618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.016618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.016618 (E_RNA) where: Base-Base interactions energy: -105.467 where: short stacking energy: -78.475 Base-Backbone interact. energy: -0.116 local terms energy: -197.433594 where: bonds (distance) C4'-P energy: -67.242 bonds (distance) P-C4' energy: -71.913 flat angles C4'-P-C4' energy: -52.602 flat angles P-C4'-P energy: -22.278 tors. eta vs tors. theta energy: 16.601 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: 6 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1420.948709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.948709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.948709 (E_RNA) where: Base-Base interactions energy: -997.079 where: short stacking energy: -428.523 Base-Backbone interact. energy: -1.377 local terms energy: -422.492384 where: bonds (distance) C4'-P energy: -70.210 bonds (distance) P-C4' energy: -80.733 flat angles C4'-P-C4' energy: -94.377 flat angles P-C4'-P energy: -53.730 tors. eta vs tors. theta energy: -123.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1364.442984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.442984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.442984 (E_RNA) where: Base-Base interactions energy: -934.755 where: short stacking energy: -402.076 Base-Backbone interact. energy: -2.221 local terms energy: -427.466170 where: bonds (distance) C4'-P energy: -75.715 bonds (distance) P-C4' energy: -83.440 flat angles C4'-P-C4' energy: -88.648 flat angles P-C4'-P energy: -65.461 tors. eta vs tors. theta energy: -114.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1289.179247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.179247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.179247 (E_RNA) where: Base-Base interactions energy: -864.390 where: short stacking energy: -379.207 Base-Backbone interact. energy: 0.568 local terms energy: -425.356575 where: bonds (distance) C4'-P energy: -76.338 bonds (distance) P-C4' energy: -81.708 flat angles C4'-P-C4' energy: -87.633 flat angles P-C4'-P energy: -64.059 tors. eta vs tors. theta energy: -115.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1202.413594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.413594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.413594 (E_RNA) where: Base-Base interactions energy: -804.787 where: short stacking energy: -376.678 Base-Backbone interact. energy: -0.468 local terms energy: -397.158512 where: bonds (distance) C4'-P energy: -78.384 bonds (distance) P-C4' energy: -76.524 flat angles C4'-P-C4' energy: -79.046 flat angles P-C4'-P energy: -56.513 tors. eta vs tors. theta energy: -106.693 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: 5, replica: 10 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1220.398612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.398612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.398612 (E_RNA) where: Base-Base interactions energy: -862.556 where: short stacking energy: -367.703 Base-Backbone interact. energy: -0.865 local terms energy: -356.977248 where: bonds (distance) C4'-P energy: -63.248 bonds (distance) P-C4' energy: -62.767 flat angles C4'-P-C4' energy: -77.989 flat angles P-C4'-P energy: -54.103 tors. eta vs tors. theta energy: -98.871 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: 6, replica: 9 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1025.523143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.523143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.523143 (E_RNA) where: Base-Base interactions energy: -689.929 where: short stacking energy: -299.475 Base-Backbone interact. energy: 1.079 local terms energy: -336.674026 where: bonds (distance) C4'-P energy: -69.367 bonds (distance) P-C4' energy: -73.010 flat angles C4'-P-C4' energy: -74.438 flat angles P-C4'-P energy: -44.252 tors. eta vs tors. theta energy: -75.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -825.824696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.824696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.824696 (E_RNA) where: Base-Base interactions energy: -513.524 where: short stacking energy: -243.658 Base-Backbone interact. energy: 0.262 local terms energy: -312.562406 where: bonds (distance) C4'-P energy: -57.179 bonds (distance) P-C4' energy: -80.049 flat angles C4'-P-C4' energy: -63.706 flat angles P-C4'-P energy: -50.340 tors. eta vs tors. theta energy: -61.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -789.660089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.660089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.660089 (E_RNA) where: Base-Base interactions energy: -501.013 where: short stacking energy: -253.164 Base-Backbone interact. energy: 0.773 local terms energy: -289.419536 where: bonds (distance) C4'-P energy: -54.053 bonds (distance) P-C4' energy: -72.330 flat angles C4'-P-C4' energy: -69.474 flat angles P-C4'-P energy: -30.432 tors. eta vs tors. theta energy: -63.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -449.629643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.629643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.629643 (E_RNA) where: Base-Base interactions energy: -221.275 where: short stacking energy: -137.420 Base-Backbone interact. energy: 2.927 local terms energy: -231.281973 where: bonds (distance) C4'-P energy: -49.601 bonds (distance) P-C4' energy: -60.319 flat angles C4'-P-C4' energy: -61.053 flat angles P-C4'-P energy: -40.185 tors. eta vs tors. theta energy: -20.124 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: 10, replica: 8 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -366.866178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.866178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.866178 (E_RNA) where: Base-Base interactions energy: -172.870 where: short stacking energy: -119.849 Base-Backbone interact. energy: 0.907 local terms energy: -194.903322 where: bonds (distance) C4'-P energy: -54.726 bonds (distance) P-C4' energy: -55.087 flat angles C4'-P-C4' energy: -60.808 flat angles P-C4'-P energy: -27.200 tors. eta vs tors. theta energy: 2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1413.690631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.690631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.690631 (E_RNA) where: Base-Base interactions energy: -981.018 where: short stacking energy: -420.289 Base-Backbone interact. energy: -0.653 local terms energy: -432.020127 where: bonds (distance) C4'-P energy: -75.288 bonds (distance) P-C4' energy: -83.238 flat angles C4'-P-C4' energy: -86.893 flat angles P-C4'-P energy: -66.233 tors. eta vs tors. theta energy: -120.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1359.642724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.642724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.642724 (E_RNA) where: Base-Base interactions energy: -948.719 where: short stacking energy: -405.579 Base-Backbone interact. energy: -1.366 local terms energy: -409.558129 where: bonds (distance) C4'-P energy: -70.797 bonds (distance) P-C4' energy: -76.156 flat angles C4'-P-C4' energy: -85.328 flat angles P-C4'-P energy: -62.414 tors. eta vs tors. theta energy: -114.863 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: 3 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1292.196266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.196266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.196266 (E_RNA) where: Base-Base interactions energy: -889.051 where: short stacking energy: -379.493 Base-Backbone interact. energy: -1.549 local terms energy: -401.595451 where: bonds (distance) C4'-P energy: -67.981 bonds (distance) P-C4' energy: -78.507 flat angles C4'-P-C4' energy: -82.866 flat angles P-C4'-P energy: -62.168 tors. eta vs tors. theta energy: -110.074 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: 10 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1250.770246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.770246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.770246 (E_RNA) where: Base-Base interactions energy: -861.387 where: short stacking energy: -377.277 Base-Backbone interact. energy: 0.459 local terms energy: -389.842149 where: bonds (distance) C4'-P energy: -74.281 bonds (distance) P-C4' energy: -76.937 flat angles C4'-P-C4' energy: -78.349 flat angles P-C4'-P energy: -53.158 tors. eta vs tors. theta energy: -107.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1190.923416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.923416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.923416 (E_RNA) where: Base-Base interactions energy: -796.950 where: short stacking energy: -357.341 Base-Backbone interact. energy: -0.907 local terms energy: -393.066021 where: bonds (distance) C4'-P energy: -77.351 bonds (distance) P-C4' energy: -86.442 flat angles C4'-P-C4' energy: -76.490 flat angles P-C4'-P energy: -51.690 tors. eta vs tors. theta energy: -101.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1055.485985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.485985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.485985 (E_RNA) where: Base-Base interactions energy: -716.550 where: short stacking energy: -315.513 Base-Backbone interact. energy: 0.378 local terms energy: -339.313827 where: bonds (distance) C4'-P energy: -75.596 bonds (distance) P-C4' energy: -58.490 flat angles C4'-P-C4' energy: -75.709 flat angles P-C4'-P energy: -47.173 tors. eta vs tors. theta energy: -82.346 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: 439 Temperature: 1.200000 Total energy: -729.571964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.571964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.571964 (E_RNA) where: Base-Base interactions energy: -434.542 where: short stacking energy: -208.218 Base-Backbone interact. energy: -0.006 local terms energy: -295.024185 where: bonds (distance) C4'-P energy: -69.353 bonds (distance) P-C4' energy: -66.479 flat angles C4'-P-C4' energy: -77.290 flat angles P-C4'-P energy: -37.358 tors. eta vs tors. theta energy: -44.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -761.683053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.683053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.683053 (E_RNA) where: Base-Base interactions energy: -472.683 where: short stacking energy: -219.335 Base-Backbone interact. energy: -0.968 local terms energy: -288.032154 where: bonds (distance) C4'-P energy: -63.229 bonds (distance) P-C4' energy: -69.619 flat angles C4'-P-C4' energy: -75.355 flat angles P-C4'-P energy: -34.964 tors. eta vs tors. theta energy: -44.865 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: 1 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -447.314558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.314558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.314558 (E_RNA) where: Base-Base interactions energy: -232.419 where: short stacking energy: -130.870 Base-Backbone interact. energy: -0.885 local terms energy: -214.011098 where: bonds (distance) C4'-P energy: -57.411 bonds (distance) P-C4' energy: -59.951 flat angles C4'-P-C4' energy: -60.259 flat angles P-C4'-P energy: -29.605 tors. eta vs tors. theta energy: -6.785 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: 8 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -380.040556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.040556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.040556 (E_RNA) where: Base-Base interactions energy: -157.225 where: short stacking energy: -93.204 Base-Backbone interact. energy: -2.568 local terms energy: -220.246841 where: bonds (distance) C4'-P energy: -63.999 bonds (distance) P-C4' energy: -77.867 flat angles C4'-P-C4' energy: -64.104 flat angles P-C4'-P energy: -36.957 tors. eta vs tors. theta energy: 22.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1385.130566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.130566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.130566 (E_RNA) where: Base-Base interactions energy: -956.712 where: short stacking energy: -413.545 Base-Backbone interact. energy: -0.291 local terms energy: -428.127994 where: bonds (distance) C4'-P energy: -70.090 bonds (distance) P-C4' energy: -78.331 flat angles C4'-P-C4' energy: -87.759 flat angles P-C4'-P energy: -69.865 tors. eta vs tors. theta energy: -122.083 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: 6 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1390.460213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.460213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.460213 (E_RNA) where: Base-Base interactions energy: -970.159 where: short stacking energy: -410.942 Base-Backbone interact. energy: 0.055 local terms energy: -420.356223 where: bonds (distance) C4'-P energy: -72.603 bonds (distance) P-C4' energy: -68.443 flat angles C4'-P-C4' energy: -87.614 flat angles P-C4'-P energy: -69.201 tors. eta vs tors. theta energy: -122.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1291.740204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.740204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.740204 (E_RNA) where: Base-Base interactions energy: -887.541 where: short stacking energy: -387.136 Base-Backbone interact. energy: 0.499 local terms energy: -404.697608 where: bonds (distance) C4'-P energy: -72.098 bonds (distance) P-C4' energy: -85.273 flat angles C4'-P-C4' energy: -86.744 flat angles P-C4'-P energy: -56.556 tors. eta vs tors. theta energy: -104.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1223.434497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.434497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.434497 (E_RNA) where: Base-Base interactions energy: -858.792 where: short stacking energy: -380.238 Base-Backbone interact. energy: -1.686 local terms energy: -362.956668 where: bonds (distance) C4'-P energy: -65.319 bonds (distance) P-C4' energy: -55.566 flat angles C4'-P-C4' energy: -83.955 flat angles P-C4'-P energy: -56.116 tors. eta vs tors. theta energy: -102.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1196.809286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.809286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.809286 (E_RNA) where: Base-Base interactions energy: -825.222 where: short stacking energy: -357.949 Base-Backbone interact. energy: 0.488 local terms energy: -372.075454 where: bonds (distance) C4'-P energy: -60.760 bonds (distance) P-C4' energy: -71.935 flat angles C4'-P-C4' energy: -86.054 flat angles P-C4'-P energy: -43.374 tors. eta vs tors. theta energy: -109.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1003.077268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.077268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.077268 (E_RNA) where: Base-Base interactions energy: -680.383 where: short stacking energy: -302.596 Base-Backbone interact. energy: 1.088 local terms energy: -323.783021 where: bonds (distance) C4'-P energy: -54.345 bonds (distance) P-C4' energy: -78.098 flat angles C4'-P-C4' energy: -71.441 flat angles P-C4'-P energy: -44.958 tors. eta vs tors. theta energy: -74.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -769.285118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.285118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.285118 (E_RNA) where: Base-Base interactions energy: -485.301 where: short stacking energy: -242.591 Base-Backbone interact. energy: -2.177 local terms energy: -281.806663 where: bonds (distance) C4'-P energy: -67.174 bonds (distance) P-C4' energy: -57.894 flat angles C4'-P-C4' energy: -68.100 flat angles P-C4'-P energy: -48.923 tors. eta vs tors. theta energy: -39.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -678.928062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.928062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.928062 (E_RNA) where: Base-Base interactions energy: -408.082 where: short stacking energy: -208.419 Base-Backbone interact. energy: 1.572 local terms energy: -272.417388 where: bonds (distance) C4'-P energy: -64.263 bonds (distance) P-C4' energy: -60.739 flat angles C4'-P-C4' energy: -68.242 flat angles P-C4'-P energy: -38.746 tors. eta vs tors. theta energy: -40.427 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: 9, replica: 1 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -463.071611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.071611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.071611 (E_RNA) where: Base-Base interactions energy: -231.324 where: short stacking energy: -133.561 Base-Backbone interact. energy: 0.842 local terms energy: -232.590059 where: bonds (distance) C4'-P energy: -53.838 bonds (distance) P-C4' energy: -68.102 flat angles C4'-P-C4' energy: -69.533 flat angles P-C4'-P energy: -37.201 tors. eta vs tors. theta energy: -3.916 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: 8 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -394.325921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.325921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.325921 (E_RNA) where: Base-Base interactions energy: -197.074 where: short stacking energy: -108.509 Base-Backbone interact. energy: 0.285 local terms energy: -197.536131 where: bonds (distance) C4'-P energy: -65.881 bonds (distance) P-C4' energy: -55.057 flat angles C4'-P-C4' energy: -50.702 flat angles P-C4'-P energy: -33.909 tors. eta vs tors. theta energy: 8.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1404.290325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.290325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.290325 (E_RNA) where: Base-Base interactions energy: -967.227 where: short stacking energy: -411.292 Base-Backbone interact. energy: -1.833 local terms energy: -435.230229 where: bonds (distance) C4'-P energy: -78.152 bonds (distance) P-C4' energy: -80.775 flat angles C4'-P-C4' energy: -99.140 flat angles P-C4'-P energy: -58.393 tors. eta vs tors. theta energy: -118.770 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: 441 Temperature: 0.950000 Total energy: -1391.979024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.979024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.979024 (E_RNA) where: Base-Base interactions energy: -961.497 where: short stacking energy: -423.454 Base-Backbone interact. energy: 0.258 local terms energy: -430.740597 where: bonds (distance) C4'-P energy: -78.513 bonds (distance) P-C4' energy: -86.226 flat angles C4'-P-C4' energy: -82.997 flat angles P-C4'-P energy: -61.507 tors. eta vs tors. theta energy: -121.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1303.374704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.374704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.374704 (E_RNA) where: Base-Base interactions energy: -891.357 where: short stacking energy: -400.544 Base-Backbone interact. energy: 1.958 local terms energy: -413.975403 where: bonds (distance) C4'-P energy: -72.254 bonds (distance) P-C4' energy: -76.443 flat angles C4'-P-C4' energy: -90.089 flat angles P-C4'-P energy: -61.391 tors. eta vs tors. theta energy: -113.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1265.229987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.229987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.229987 (E_RNA) where: Base-Base interactions energy: -858.900 where: short stacking energy: -374.017 Base-Backbone interact. energy: -1.005 local terms energy: -405.324907 where: bonds (distance) C4'-P energy: -73.187 bonds (distance) P-C4' energy: -75.847 flat angles C4'-P-C4' energy: -81.027 flat angles P-C4'-P energy: -64.401 tors. eta vs tors. theta energy: -110.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1176.484192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.484192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.484192 (E_RNA) where: Base-Base interactions energy: -797.331 where: short stacking energy: -338.683 Base-Backbone interact. energy: -2.937 local terms energy: -376.216415 where: bonds (distance) C4'-P energy: -70.326 bonds (distance) P-C4' energy: -72.726 flat angles C4'-P-C4' energy: -80.542 flat angles P-C4'-P energy: -45.640 tors. eta vs tors. theta energy: -106.981 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: 9 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1011.743072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.743072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.743072 (E_RNA) where: Base-Base interactions energy: -666.531 where: short stacking energy: -294.830 Base-Backbone interact. energy: -1.719 local terms energy: -343.492957 where: bonds (distance) C4'-P energy: -70.986 bonds (distance) P-C4' energy: -75.698 flat angles C4'-P-C4' energy: -78.665 flat angles P-C4'-P energy: -41.071 tors. eta vs tors. theta energy: -77.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -772.677986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.677986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.677986 (E_RNA) where: Base-Base interactions energy: -490.204 where: short stacking energy: -241.309 Base-Backbone interact. energy: 0.562 local terms energy: -283.036129 where: bonds (distance) C4'-P energy: -54.859 bonds (distance) P-C4' energy: -60.916 flat angles C4'-P-C4' energy: -66.990 flat angles P-C4'-P energy: -51.736 tors. eta vs tors. theta energy: -48.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -633.470250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.470250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.470250 (E_RNA) where: Base-Base interactions energy: -375.812 where: short stacking energy: -185.788 Base-Backbone interact. energy: -0.464 local terms energy: -257.195212 where: bonds (distance) C4'-P energy: -70.702 bonds (distance) P-C4' energy: -66.589 flat angles C4'-P-C4' energy: -61.835 flat angles P-C4'-P energy: -28.149 tors. eta vs tors. theta energy: -29.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -518.500668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.500668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.500668 (E_RNA) where: Base-Base interactions energy: -269.848 where: short stacking energy: -147.634 Base-Backbone interact. energy: 1.968 local terms energy: -250.620920 where: bonds (distance) C4'-P energy: -76.450 bonds (distance) P-C4' energy: -62.826 flat angles C4'-P-C4' energy: -63.896 flat angles P-C4'-P energy: -36.443 tors. eta vs tors. theta energy: -11.006 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: 8 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -417.835308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.835308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.835308 (E_RNA) where: Base-Base interactions energy: -231.936 where: short stacking energy: -111.832 Base-Backbone interact. energy: -1.410 local terms energy: -184.489083 where: bonds (distance) C4'-P energy: -54.234 bonds (distance) P-C4' energy: -68.471 flat angles C4'-P-C4' energy: -49.803 flat angles P-C4'-P energy: -32.136 tors. eta vs tors. theta energy: 20.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1390.901023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.901023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.901023 (E_RNA) where: Base-Base interactions energy: -950.690 where: short stacking energy: -402.759 Base-Backbone interact. energy: -2.185 local terms energy: -438.026599 where: bonds (distance) C4'-P energy: -83.022 bonds (distance) P-C4' energy: -81.047 flat angles C4'-P-C4' energy: -87.099 flat angles P-C4'-P energy: -64.713 tors. eta vs tors. theta energy: -122.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1397.165937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.165937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.165937 (E_RNA) where: Base-Base interactions energy: -939.209 where: short stacking energy: -429.198 Base-Backbone interact. energy: -0.918 local terms energy: -457.038510 where: bonds (distance) C4'-P energy: -79.555 bonds (distance) P-C4' energy: -88.713 flat angles C4'-P-C4' energy: -89.119 flat angles P-C4'-P energy: -68.265 tors. eta vs tors. theta energy: -131.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1296.806600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.806600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.806600 (E_RNA) where: Base-Base interactions energy: -919.314 where: short stacking energy: -392.131 Base-Backbone interact. energy: -1.590 local terms energy: -375.902477 where: bonds (distance) C4'-P energy: -56.339 bonds (distance) P-C4' energy: -61.540 flat angles C4'-P-C4' energy: -85.347 flat angles P-C4'-P energy: -59.712 tors. eta vs tors. theta energy: -112.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1240.560913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.560913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.560913 (E_RNA) where: Base-Base interactions energy: -854.123 where: short stacking energy: -374.256 Base-Backbone interact. energy: 0.571 local terms energy: -387.008465 where: bonds (distance) C4'-P energy: -61.812 bonds (distance) P-C4' energy: -82.456 flat angles C4'-P-C4' energy: -74.989 flat angles P-C4'-P energy: -60.116 tors. eta vs tors. theta energy: -107.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1179.404177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.404177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.404177 (E_RNA) where: Base-Base interactions energy: -784.442 where: short stacking energy: -368.237 Base-Backbone interact. energy: -1.792 local terms energy: -393.170709 where: bonds (distance) C4'-P energy: -78.244 bonds (distance) P-C4' energy: -80.591 flat angles C4'-P-C4' energy: -77.584 flat angles P-C4'-P energy: -51.516 tors. eta vs tors. theta energy: -105.234 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: 9 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1014.161665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.161665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.161665 (E_RNA) where: Base-Base interactions energy: -669.741 where: short stacking energy: -309.816 Base-Backbone interact. energy: 4.950 local terms energy: -349.370630 where: bonds (distance) C4'-P energy: -66.915 bonds (distance) P-C4' energy: -61.099 flat angles C4'-P-C4' energy: -83.661 flat angles P-C4'-P energy: -51.592 tors. eta vs tors. theta energy: -86.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -768.590203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.590203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.590203 (E_RNA) where: Base-Base interactions energy: -472.469 where: short stacking energy: -237.167 Base-Backbone interact. energy: -1.037 local terms energy: -295.084196 where: bonds (distance) C4'-P energy: -76.880 bonds (distance) P-C4' energy: -56.779 flat angles C4'-P-C4' energy: -59.343 flat angles P-C4'-P energy: -52.419 tors. eta vs tors. theta energy: -49.664 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: 8, replica: 5 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -632.849018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.849018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.849018 (E_RNA) where: Base-Base interactions energy: -394.596 where: short stacking energy: -205.806 Base-Backbone interact. energy: 0.886 local terms energy: -239.138768 where: bonds (distance) C4'-P energy: -47.313 bonds (distance) P-C4' energy: -73.893 flat angles C4'-P-C4' energy: -55.240 flat angles P-C4'-P energy: -33.115 tors. eta vs tors. theta energy: -29.577 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: 9, replica: 1 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -481.148844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.148844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.148844 (E_RNA) where: Base-Base interactions energy: -249.019 where: short stacking energy: -142.437 Base-Backbone interact. energy: 2.067 local terms energy: -234.196778 where: bonds (distance) C4'-P energy: -62.010 bonds (distance) P-C4' energy: -67.373 flat angles C4'-P-C4' energy: -60.427 flat angles P-C4'-P energy: -38.537 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: 10, replica: 8 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -388.979895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.979895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.979895 (E_RNA) where: Base-Base interactions energy: -200.921 where: short stacking energy: -121.980 Base-Backbone interact. energy: -0.386 local terms energy: -187.673338 where: bonds (distance) C4'-P energy: -58.974 bonds (distance) P-C4' energy: -56.988 flat angles C4'-P-C4' energy: -39.826 flat angles P-C4'-P energy: -37.776 tors. eta vs tors. theta energy: 5.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1412.281891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.281891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.281891 (E_RNA) where: Base-Base interactions energy: -968.526 where: short stacking energy: -421.915 Base-Backbone interact. energy: -2.034 local terms energy: -441.722016 where: bonds (distance) C4'-P energy: -82.728 bonds (distance) P-C4' energy: -85.609 flat angles C4'-P-C4' energy: -94.447 flat angles P-C4'-P energy: -53.880 tors. eta vs tors. theta energy: -125.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1369.069829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.069829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.069829 (E_RNA) where: Base-Base interactions energy: -946.094 where: short stacking energy: -393.617 Base-Backbone interact. energy: 0.446 local terms energy: -423.421333 where: bonds (distance) C4'-P energy: -76.909 bonds (distance) P-C4' energy: -83.143 flat angles C4'-P-C4' energy: -80.200 flat angles P-C4'-P energy: -61.039 tors. eta vs tors. theta energy: -122.130 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: 3, replica: 3 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1312.185350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.185350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.185350 (E_RNA) where: Base-Base interactions energy: -921.950 where: short stacking energy: -405.033 Base-Backbone interact. energy: -2.344 local terms energy: -387.891070 where: bonds (distance) C4'-P energy: -76.294 bonds (distance) P-C4' energy: -57.528 flat angles C4'-P-C4' energy: -86.131 flat angles P-C4'-P energy: -61.504 tors. eta vs tors. theta energy: -106.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1225.851470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.851470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.851470 (E_RNA) where: Base-Base interactions energy: -821.166 where: short stacking energy: -361.376 Base-Backbone interact. energy: -1.470 local terms energy: -403.214760 where: bonds (distance) C4'-P energy: -76.757 bonds (distance) P-C4' energy: -86.615 flat angles C4'-P-C4' energy: -79.260 flat angles P-C4'-P energy: -64.145 tors. eta vs tors. theta energy: -96.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1178.149759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.149759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.149759 (E_RNA) where: Base-Base interactions energy: -791.486 where: short stacking energy: -373.995 Base-Backbone interact. energy: -1.628 local terms energy: -385.034950 where: bonds (distance) C4'-P energy: -57.069 bonds (distance) P-C4' energy: -73.065 flat angles C4'-P-C4' energy: -88.433 flat angles P-C4'-P energy: -54.485 tors. eta vs tors. theta energy: -111.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1046.442204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.442204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.442204 (E_RNA) where: Base-Base interactions energy: -688.765 where: short stacking energy: -313.582 Base-Backbone interact. energy: -0.942 local terms energy: -356.735501 where: bonds (distance) C4'-P energy: -67.590 bonds (distance) P-C4' energy: -70.509 flat angles C4'-P-C4' energy: -69.178 flat angles P-C4'-P energy: -51.277 tors. eta vs tors. theta energy: -98.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -744.274375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.274375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.274375 (E_RNA) where: Base-Base interactions energy: -458.151 where: short stacking energy: -212.875 Base-Backbone interact. energy: -2.865 local terms energy: -283.259215 where: bonds (distance) C4'-P energy: -56.818 bonds (distance) P-C4' energy: -62.148 flat angles C4'-P-C4' energy: -81.849 flat angles P-C4'-P energy: -45.282 tors. eta vs tors. theta energy: -37.161 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: 5 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -645.027946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.027946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.027946 (E_RNA) where: Base-Base interactions energy: -368.675 where: short stacking energy: -194.054 Base-Backbone interact. energy: 0.765 local terms energy: -277.117088 where: bonds (distance) C4'-P energy: -65.130 bonds (distance) P-C4' energy: -75.736 flat angles C4'-P-C4' energy: -64.050 flat angles P-C4'-P energy: -35.990 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: 9, replica: 1 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -490.117822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.117822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.117822 (E_RNA) where: Base-Base interactions energy: -246.969 where: short stacking energy: -136.732 Base-Backbone interact. energy: -1.478 local terms energy: -241.671207 where: bonds (distance) C4'-P energy: -71.857 bonds (distance) P-C4' energy: -65.496 flat angles C4'-P-C4' energy: -63.380 flat angles P-C4'-P energy: -41.162 tors. eta vs tors. theta energy: 0.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -385.663602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.663602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.663602 (E_RNA) where: Base-Base interactions energy: -193.151 where: short stacking energy: -112.981 Base-Backbone interact. energy: 1.109 local terms energy: -193.621329 where: bonds (distance) C4'-P energy: -49.895 bonds (distance) P-C4' energy: -63.959 flat angles C4'-P-C4' energy: -59.779 flat angles P-C4'-P energy: -28.408 tors. eta vs tors. theta energy: 8.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1432.172264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.172264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.172264 (E_RNA) where: Base-Base interactions energy: -989.002 where: short stacking energy: -414.692 Base-Backbone interact. energy: 0.566 local terms energy: -443.736563 where: bonds (distance) C4'-P energy: -76.730 bonds (distance) P-C4' energy: -85.125 flat angles C4'-P-C4' energy: -90.317 flat angles P-C4'-P energy: -65.643 tors. eta vs tors. theta energy: -125.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1371.366740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.366740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.366740 (E_RNA) where: Base-Base interactions energy: -957.457 where: short stacking energy: -391.650 Base-Backbone interact. energy: -0.909 local terms energy: -413.000513 where: bonds (distance) C4'-P energy: -77.652 bonds (distance) P-C4' energy: -77.780 flat angles C4'-P-C4' energy: -85.574 flat angles P-C4'-P energy: -54.150 tors. eta vs tors. theta energy: -117.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1313.001423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.001423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.001423 (E_RNA) where: Base-Base interactions energy: -915.604 where: short stacking energy: -401.095 Base-Backbone interact. energy: 0.832 local terms energy: -398.229337 where: bonds (distance) C4'-P energy: -69.118 bonds (distance) P-C4' energy: -74.745 flat angles C4'-P-C4' energy: -89.447 flat angles P-C4'-P energy: -53.175 tors. eta vs tors. theta energy: -111.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1237.468450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.468450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.468450 (E_RNA) where: Base-Base interactions energy: -840.206 where: short stacking energy: -373.104 Base-Backbone interact. energy: -0.445 local terms energy: -396.817232 where: bonds (distance) C4'-P energy: -76.024 bonds (distance) P-C4' energy: -73.241 flat angles C4'-P-C4' energy: -88.390 flat angles P-C4'-P energy: -53.271 tors. eta vs tors. theta energy: -105.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1203.932197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.932197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.932197 (E_RNA) where: Base-Base interactions energy: -812.017 where: short stacking energy: -370.550 Base-Backbone interact. energy: -1.213 local terms energy: -390.701835 where: bonds (distance) C4'-P energy: -79.961 bonds (distance) P-C4' energy: -69.239 flat angles C4'-P-C4' energy: -80.517 flat angles P-C4'-P energy: -52.342 tors. eta vs tors. theta energy: -108.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1065.193561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.193561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.193561 (E_RNA) where: Base-Base interactions energy: -721.175 where: short stacking energy: -327.529 Base-Backbone interact. energy: -0.140 local terms energy: -343.878409 where: bonds (distance) C4'-P energy: -65.382 bonds (distance) P-C4' energy: -65.280 flat angles C4'-P-C4' energy: -66.537 flat angles P-C4'-P energy: -51.376 tors. eta vs tors. theta energy: -95.303 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: 7 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -778.945731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.945731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.945731 (E_RNA) where: Base-Base interactions energy: -473.927 where: short stacking energy: -242.725 Base-Backbone interact. energy: -0.389 local terms energy: -304.629035 where: bonds (distance) C4'-P energy: -71.058 bonds (distance) P-C4' energy: -65.690 flat angles C4'-P-C4' energy: -75.131 flat angles P-C4'-P energy: -40.955 tors. eta vs tors. theta energy: -51.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -646.042263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.042263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.042263 (E_RNA) where: Base-Base interactions energy: -377.275 where: short stacking energy: -187.941 Base-Backbone interact. energy: 2.132 local terms energy: -270.899212 where: bonds (distance) C4'-P energy: -71.167 bonds (distance) P-C4' energy: -64.430 flat angles C4'-P-C4' energy: -63.833 flat angles P-C4'-P energy: -47.584 tors. eta vs tors. theta energy: -23.885 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: 8 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -450.347814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.347814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.347814 (E_RNA) where: Base-Base interactions energy: -221.056 where: short stacking energy: -156.238 Base-Backbone interact. energy: 0.373 local terms energy: -229.664781 where: bonds (distance) C4'-P energy: -57.696 bonds (distance) P-C4' energy: -62.302 flat angles C4'-P-C4' energy: -66.001 flat angles P-C4'-P energy: -31.500 tors. eta vs tors. theta energy: -12.167 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: 10, replica: 1 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -418.047281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.047281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.047281 (E_RNA) where: Base-Base interactions energy: -196.380 where: short stacking energy: -115.574 Base-Backbone interact. energy: -2.112 local terms energy: -219.555193 where: bonds (distance) C4'-P energy: -49.798 bonds (distance) P-C4' energy: -72.213 flat angles C4'-P-C4' energy: -52.999 flat angles P-C4'-P energy: -37.879 tors. eta vs tors. theta energy: -6.666 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: 1, replica: 6 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1414.321337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.321337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.321337 (E_RNA) where: Base-Base interactions energy: -982.175 where: short stacking energy: -422.305 Base-Backbone interact. energy: -1.673 local terms energy: -430.472628 where: bonds (distance) C4'-P energy: -70.316 bonds (distance) P-C4' energy: -79.819 flat angles C4'-P-C4' energy: -89.113 flat angles P-C4'-P energy: -67.019 tors. eta vs tors. theta energy: -124.206 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: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1379.230456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.230456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.230456 (E_RNA) where: Base-Base interactions energy: -947.588 where: short stacking energy: -406.600 Base-Backbone interact. energy: 1.571 local terms energy: -433.212738 where: bonds (distance) C4'-P energy: -71.300 bonds (distance) P-C4' energy: -80.137 flat angles C4'-P-C4' energy: -88.662 flat angles P-C4'-P energy: -68.060 tors. eta vs tors. theta energy: -125.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1313.948940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.948940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.948940 (E_RNA) where: Base-Base interactions energy: -899.052 where: short stacking energy: -407.097 Base-Backbone interact. energy: -0.656 local terms energy: -414.241541 where: bonds (distance) C4'-P energy: -84.710 bonds (distance) P-C4' energy: -77.862 flat angles C4'-P-C4' energy: -79.895 flat angles P-C4'-P energy: -62.772 tors. eta vs tors. theta energy: -109.003 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: 10 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1278.821178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.821178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.821178 (E_RNA) where: Base-Base interactions energy: -877.831 where: short stacking energy: -395.127 Base-Backbone interact. energy: -1.454 local terms energy: -399.536996 where: bonds (distance) C4'-P energy: -78.642 bonds (distance) P-C4' energy: -69.030 flat angles C4'-P-C4' energy: -89.293 flat angles P-C4'-P energy: -50.926 tors. eta vs tors. theta energy: -111.646 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: 2 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1195.254723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.254723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.254723 (E_RNA) where: Base-Base interactions energy: -812.515 where: short stacking energy: -345.149 Base-Backbone interact. energy: -0.301 local terms energy: -382.437927 where: bonds (distance) C4'-P energy: -65.048 bonds (distance) P-C4' energy: -74.797 flat angles C4'-P-C4' energy: -85.042 flat angles P-C4'-P energy: -50.959 tors. eta vs tors. theta energy: -106.591 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: 9 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1085.560226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.560226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.560226 (E_RNA) where: Base-Base interactions energy: -707.257 where: short stacking energy: -298.875 Base-Backbone interact. energy: -1.280 local terms energy: -377.023665 where: bonds (distance) C4'-P energy: -77.749 bonds (distance) P-C4' energy: -82.174 flat angles C4'-P-C4' energy: -84.427 flat angles P-C4'-P energy: -49.058 tors. eta vs tors. theta energy: -83.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -808.595520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.595520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.595520 (E_RNA) where: Base-Base interactions energy: -506.106 where: short stacking energy: -253.825 Base-Backbone interact. energy: -2.140 local terms energy: -300.350247 where: bonds (distance) C4'-P energy: -67.071 bonds (distance) P-C4' energy: -65.689 flat angles C4'-P-C4' energy: -58.972 flat angles P-C4'-P energy: -46.643 tors. eta vs tors. theta energy: -61.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -670.414301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.414301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.414301 (E_RNA) where: Base-Base interactions energy: -432.312 where: short stacking energy: -205.686 Base-Backbone interact. energy: 2.977 local terms energy: -241.079069 where: bonds (distance) C4'-P energy: -61.198 bonds (distance) P-C4' energy: -70.850 flat angles C4'-P-C4' energy: -57.659 flat angles P-C4'-P energy: -27.011 tors. eta vs tors. theta energy: -24.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -442.629119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.629119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.629119 (E_RNA) where: Base-Base interactions energy: -216.777 where: short stacking energy: -111.300 Base-Backbone interact. energy: -2.259 local terms energy: -223.592924 where: bonds (distance) C4'-P energy: -68.160 bonds (distance) P-C4' energy: -73.635 flat angles C4'-P-C4' energy: -50.138 flat angles P-C4'-P energy: -38.621 tors. eta vs tors. theta energy: 6.961 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: 1 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -412.453837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.453837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.453837 (E_RNA) where: Base-Base interactions energy: -164.228 where: short stacking energy: -111.771 Base-Backbone interact. energy: -1.977 local terms energy: -246.249011 where: bonds (distance) C4'-P energy: -64.557 bonds (distance) P-C4' energy: -76.798 flat angles C4'-P-C4' energy: -64.355 flat angles P-C4'-P energy: -40.794 tors. eta vs tors. theta energy: 0.255 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: 6 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1433.399313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.399313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.399313 (E_RNA) where: Base-Base interactions energy: -995.836 where: short stacking energy: -421.817 Base-Backbone interact. energy: -0.491 local terms energy: -437.071921 where: bonds (distance) C4'-P energy: -78.387 bonds (distance) P-C4' energy: -81.968 flat angles C4'-P-C4' energy: -93.274 flat angles P-C4'-P energy: -61.869 tors. eta vs tors. theta energy: -121.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1366.457726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.457726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.457726 (E_RNA) where: Base-Base interactions energy: -959.608 where: short stacking energy: -401.756 Base-Backbone interact. energy: -1.500 local terms energy: -405.349217 where: bonds (distance) C4'-P energy: -70.876 bonds (distance) P-C4' energy: -78.586 flat angles C4'-P-C4' energy: -87.376 flat angles P-C4'-P energy: -52.718 tors. eta vs tors. theta energy: -115.793 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: 10 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1308.402067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.402067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.402067 (E_RNA) where: Base-Base interactions energy: -906.666 where: short stacking energy: -381.263 Base-Backbone interact. energy: -0.012 local terms energy: -401.723573 where: bonds (distance) C4'-P energy: -74.104 bonds (distance) P-C4' energy: -76.094 flat angles C4'-P-C4' energy: -86.822 flat angles P-C4'-P energy: -54.468 tors. eta vs tors. theta energy: -110.236 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: 3 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1281.474293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.474293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.474293 (E_RNA) where: Base-Base interactions energy: -884.525 where: short stacking energy: -380.157 Base-Backbone interact. energy: -0.701 local terms energy: -396.248284 where: bonds (distance) C4'-P energy: -80.027 bonds (distance) P-C4' energy: -59.866 flat angles C4'-P-C4' energy: -79.467 flat angles P-C4'-P energy: -62.654 tors. eta vs tors. theta energy: -114.235 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: 5, replica: 2 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1233.019410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.019410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.019410 (E_RNA) where: Base-Base interactions energy: -836.005 where: short stacking energy: -369.455 Base-Backbone interact. energy: -1.505 local terms energy: -395.508818 where: bonds (distance) C4'-P energy: -73.747 bonds (distance) P-C4' energy: -74.730 flat angles C4'-P-C4' energy: -83.228 flat angles P-C4'-P energy: -51.766 tors. eta vs tors. theta energy: -112.038 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: 9 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1066.023742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.023742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.023742 (E_RNA) where: Base-Base interactions energy: -705.055 where: short stacking energy: -339.400 Base-Backbone interact. energy: -1.021 local terms energy: -359.948445 where: bonds (distance) C4'-P energy: -62.481 bonds (distance) P-C4' energy: -68.546 flat angles C4'-P-C4' energy: -85.215 flat angles P-C4'-P energy: -44.787 tors. eta vs tors. theta energy: -98.919 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: 7 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -798.425930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.425930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.425930 (E_RNA) where: Base-Base interactions energy: -505.655 where: short stacking energy: -238.630 Base-Backbone interact. energy: -0.682 local terms energy: -292.088416 where: bonds (distance) C4'-P energy: -61.189 bonds (distance) P-C4' energy: -60.011 flat angles C4'-P-C4' energy: -79.614 flat angles P-C4'-P energy: -32.418 tors. eta vs tors. theta energy: -58.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -659.832343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.832343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.832343 (E_RNA) where: Base-Base interactions energy: -405.268 where: short stacking energy: -184.928 Base-Backbone interact. energy: 0.813 local terms energy: -255.377605 where: bonds (distance) C4'-P energy: -55.319 bonds (distance) P-C4' energy: -73.593 flat angles C4'-P-C4' energy: -69.468 flat angles P-C4'-P energy: -27.267 tors. eta vs tors. theta energy: -29.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -496.637760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.637760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.637760 (E_RNA) where: Base-Base interactions energy: -269.754 where: short stacking energy: -153.727 Base-Backbone interact. energy: -1.786 local terms energy: -225.097594 where: bonds (distance) C4'-P energy: -65.407 bonds (distance) P-C4' energy: -74.239 flat angles C4'-P-C4' energy: -44.375 flat angles P-C4'-P energy: -28.267 tors. eta vs tors. theta energy: -12.810 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: 8 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -359.795815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.795815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.795815 (E_RNA) where: Base-Base interactions energy: -141.632 where: short stacking energy: -72.861 Base-Backbone interact. energy: -1.457 local terms energy: -216.706638 where: bonds (distance) C4'-P energy: -61.914 bonds (distance) P-C4' energy: -72.951 flat angles C4'-P-C4' energy: -61.420 flat angles P-C4'-P energy: -36.984 tors. eta vs tors. theta energy: 16.562 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: 6 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1418.727428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.727428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.727428 (E_RNA) where: Base-Base interactions energy: -973.577 where: short stacking energy: -433.932 Base-Backbone interact. energy: 2.484 local terms energy: -447.635210 where: bonds (distance) C4'-P energy: -76.078 bonds (distance) P-C4' energy: -84.966 flat angles C4'-P-C4' energy: -94.669 flat angles P-C4'-P energy: -64.356 tors. eta vs tors. theta energy: -127.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1378.572978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.572978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.572978 (E_RNA) where: Base-Base interactions energy: -966.718 where: short stacking energy: -432.000 Base-Backbone interact. energy: -1.897 local terms energy: -409.957924 where: bonds (distance) C4'-P energy: -61.898 bonds (distance) P-C4' energy: -71.835 flat angles C4'-P-C4' energy: -91.618 flat angles P-C4'-P energy: -57.420 tors. eta vs tors. theta energy: -127.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1308.806688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.806688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.806688 (E_RNA) where: Base-Base interactions energy: -913.149 where: short stacking energy: -371.988 Base-Backbone interact. energy: -2.158 local terms energy: -393.500066 where: bonds (distance) C4'-P energy: -62.683 bonds (distance) P-C4' energy: -77.118 flat angles C4'-P-C4' energy: -89.394 flat angles P-C4'-P energy: -59.619 tors. eta vs tors. theta energy: -104.686 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: 3 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1256.181995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.181995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.181995 (E_RNA) where: Base-Base interactions energy: -866.839 where: short stacking energy: -367.902 Base-Backbone interact. energy: -1.460 local terms energy: -387.882982 where: bonds (distance) C4'-P energy: -80.582 bonds (distance) P-C4' energy: -68.044 flat angles C4'-P-C4' energy: -78.981 flat angles P-C4'-P energy: -58.104 tors. eta vs tors. theta energy: -102.171 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: 447 Temperature: 1.100000 Total energy: -1202.220228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.220228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.220228 (E_RNA) where: Base-Base interactions energy: -828.135 where: short stacking energy: -357.563 Base-Backbone interact. energy: -1.077 local terms energy: -373.008994 where: bonds (distance) C4'-P energy: -60.450 bonds (distance) P-C4' energy: -61.664 flat angles C4'-P-C4' energy: -83.772 flat angles P-C4'-P energy: -53.817 tors. eta vs tors. theta energy: -113.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1055.144365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.144365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.144365 (E_RNA) where: Base-Base interactions energy: -728.750 where: short stacking energy: -324.536 Base-Backbone interact. energy: -0.531 local terms energy: -325.863466 where: bonds (distance) C4'-P energy: -68.929 bonds (distance) P-C4' energy: -61.282 flat angles C4'-P-C4' energy: -79.211 flat angles P-C4'-P energy: -35.886 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: 7, replica: 7 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -764.389969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.389969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.389969 (E_RNA) where: Base-Base interactions energy: -478.962 where: short stacking energy: -212.271 Base-Backbone interact. energy: -0.516 local terms energy: -284.911820 where: bonds (distance) C4'-P energy: -56.862 bonds (distance) P-C4' energy: -78.003 flat angles C4'-P-C4' energy: -65.411 flat angles P-C4'-P energy: -37.917 tors. eta vs tors. theta energy: -46.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -651.322984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.322984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.322984 (E_RNA) where: Base-Base interactions energy: -398.880 where: short stacking energy: -205.920 Base-Backbone interact. energy: -0.589 local terms energy: -251.853720 where: bonds (distance) C4'-P energy: -60.924 bonds (distance) P-C4' energy: -62.481 flat angles C4'-P-C4' energy: -63.647 flat angles P-C4'-P energy: -27.282 tors. eta vs tors. theta energy: -37.520 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: 9, replica: 1 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -605.353564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.353564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.353564 (E_RNA) where: Base-Base interactions energy: -345.073 where: short stacking energy: -162.586 Base-Backbone interact. energy: -0.591 local terms energy: -259.689469 where: bonds (distance) C4'-P energy: -66.507 bonds (distance) P-C4' energy: -78.034 flat angles C4'-P-C4' energy: -53.032 flat angles P-C4'-P energy: -45.552 tors. eta vs tors. theta energy: -16.565 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: 447 Temperature: 1.350000 Total energy: -300.289535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.289535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.289535 (E_RNA) where: Base-Base interactions energy: -84.174 where: short stacking energy: -57.924 Base-Backbone interact. energy: -1.377 local terms energy: -214.738692 where: bonds (distance) C4'-P energy: -71.617 bonds (distance) P-C4' energy: -72.098 flat angles C4'-P-C4' energy: -58.436 flat angles P-C4'-P energy: -24.617 tors. eta vs tors. theta energy: 12.029 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: 1, replica: 6 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1398.650385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.650385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.650385 (E_RNA) where: Base-Base interactions energy: -967.314 where: short stacking energy: -416.907 Base-Backbone interact. energy: -0.573 local terms energy: -430.763378 where: bonds (distance) C4'-P energy: -68.931 bonds (distance) P-C4' energy: -88.438 flat angles C4'-P-C4' energy: -89.822 flat angles P-C4'-P energy: -60.289 tors. eta vs tors. theta energy: -123.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1370.160961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.160961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.160961 (E_RNA) where: Base-Base interactions energy: -949.167 where: short stacking energy: -405.947 Base-Backbone interact. energy: -2.345 local terms energy: -418.649165 where: bonds (distance) C4'-P energy: -81.612 bonds (distance) P-C4' energy: -67.987 flat angles C4'-P-C4' energy: -90.873 flat angles P-C4'-P energy: -59.462 tors. eta vs tors. theta energy: -118.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1328.223725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.223725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.223725 (E_RNA) where: Base-Base interactions energy: -928.918 where: short stacking energy: -391.646 Base-Backbone interact. energy: -0.874 local terms energy: -398.432166 where: bonds (distance) C4'-P energy: -68.346 bonds (distance) P-C4' energy: -77.355 flat angles C4'-P-C4' energy: -82.519 flat angles P-C4'-P energy: -55.802 tors. eta vs tors. theta energy: -114.411 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: 448 Temperature: 1.050000 Total energy: -1275.148990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.148990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.148990 (E_RNA) where: Base-Base interactions energy: -892.421 where: short stacking energy: -381.286 Base-Backbone interact. energy: 1.067 local terms energy: -383.795431 where: bonds (distance) C4'-P energy: -73.248 bonds (distance) P-C4' energy: -74.830 flat angles C4'-P-C4' energy: -74.928 flat angles P-C4'-P energy: -56.303 tors. eta vs tors. theta energy: -104.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1210.992816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.992816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.992816 (E_RNA) where: Base-Base interactions energy: -826.262 where: short stacking energy: -378.653 Base-Backbone interact. energy: -1.530 local terms energy: -383.200981 where: bonds (distance) C4'-P energy: -52.010 bonds (distance) P-C4' energy: -70.558 flat angles C4'-P-C4' energy: -79.741 flat angles P-C4'-P energy: -61.549 tors. eta vs tors. theta energy: -119.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1030.203144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.203144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.203144 (E_RNA) where: Base-Base interactions energy: -695.848 where: short stacking energy: -299.278 Base-Backbone interact. energy: -0.828 local terms energy: -333.527106 where: bonds (distance) C4'-P energy: -61.378 bonds (distance) P-C4' energy: -67.947 flat angles C4'-P-C4' energy: -77.508 flat angles P-C4'-P energy: -46.515 tors. eta vs tors. theta energy: -80.178 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: 7 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -818.560832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.560832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.560832 (E_RNA) where: Base-Base interactions energy: -491.784 where: short stacking energy: -242.978 Base-Backbone interact. energy: -0.567 local terms energy: -326.209722 where: bonds (distance) C4'-P energy: -71.474 bonds (distance) P-C4' energy: -68.747 flat angles C4'-P-C4' energy: -82.454 flat angles P-C4'-P energy: -47.441 tors. eta vs tors. theta energy: -56.093 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: 448 Temperature: 1.250000 Total energy: -616.995961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.995961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.995961 (E_RNA) where: Base-Base interactions energy: -335.362 where: short stacking energy: -177.152 Base-Backbone interact. energy: -0.553 local terms energy: -281.080024 where: bonds (distance) C4'-P energy: -62.134 bonds (distance) P-C4' energy: -59.846 flat angles C4'-P-C4' energy: -67.934 flat angles P-C4'-P energy: -58.445 tors. eta vs tors. theta energy: -32.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -589.579303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.579303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.579303 (E_RNA) where: Base-Base interactions energy: -344.146 where: short stacking energy: -174.272 Base-Backbone interact. energy: 0.252 local terms energy: -245.685270 where: bonds (distance) C4'-P energy: -66.699 bonds (distance) P-C4' energy: -62.750 flat angles C4'-P-C4' energy: -55.217 flat angles P-C4'-P energy: -40.212 tors. eta vs tors. theta energy: -20.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -354.750395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.750395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.750395 (E_RNA) where: Base-Base interactions energy: -114.153 where: short stacking energy: -114.349 Base-Backbone interact. energy: -0.247 local terms energy: -240.350203 where: bonds (distance) C4'-P energy: -65.534 bonds (distance) P-C4' energy: -76.547 flat angles C4'-P-C4' energy: -71.053 flat angles P-C4'-P energy: -31.471 tors. eta vs tors. theta energy: 4.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1407.380091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.380091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.380091 (E_RNA) where: Base-Base interactions energy: -981.918 where: short stacking energy: -409.643 Base-Backbone interact. energy: -0.882 local terms energy: -424.579779 where: bonds (distance) C4'-P energy: -78.538 bonds (distance) P-C4' energy: -80.795 flat angles C4'-P-C4' energy: -83.133 flat angles P-C4'-P energy: -55.381 tors. eta vs tors. theta energy: -126.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1387.261074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.261074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.261074 (E_RNA) where: Base-Base interactions energy: -962.269 where: short stacking energy: -402.998 Base-Backbone interact. energy: -1.452 local terms energy: -423.540634 where: bonds (distance) C4'-P energy: -83.398 bonds (distance) P-C4' energy: -69.681 flat angles C4'-P-C4' energy: -85.828 flat angles P-C4'-P energy: -59.913 tors. eta vs tors. theta energy: -124.721 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: 10 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1320.634358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.634358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.634358 (E_RNA) where: Base-Base interactions energy: -912.394 where: short stacking energy: -381.801 Base-Backbone interact. energy: -2.568 local terms energy: -405.672401 where: bonds (distance) C4'-P energy: -72.148 bonds (distance) P-C4' energy: -80.297 flat angles C4'-P-C4' energy: -83.207 flat angles P-C4'-P energy: -58.842 tors. eta vs tors. theta energy: -111.179 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: 3 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1279.543986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.543986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.543986 (E_RNA) where: Base-Base interactions energy: -879.321 where: short stacking energy: -397.103 Base-Backbone interact. energy: -2.009 local terms energy: -398.214542 where: bonds (distance) C4'-P energy: -69.287 bonds (distance) P-C4' energy: -71.442 flat angles C4'-P-C4' energy: -85.788 flat angles P-C4'-P energy: -57.938 tors. eta vs tors. theta energy: -113.759 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: 2 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1178.489860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.489860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.489860 (E_RNA) where: Base-Base interactions energy: -757.684 where: short stacking energy: -355.830 Base-Backbone interact. energy: -1.628 local terms energy: -419.178314 where: bonds (distance) C4'-P energy: -79.181 bonds (distance) P-C4' energy: -82.956 flat angles C4'-P-C4' energy: -91.798 flat angles P-C4'-P energy: -53.699 tors. eta vs tors. theta energy: -111.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1064.711630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.711630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.711630 (E_RNA) where: Base-Base interactions energy: -712.371 where: short stacking energy: -313.957 Base-Backbone interact. energy: 1.601 local terms energy: -353.941972 where: bonds (distance) C4'-P energy: -63.338 bonds (distance) P-C4' energy: -66.660 flat angles C4'-P-C4' energy: -82.477 flat angles P-C4'-P energy: -53.169 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: 7, replica: 7 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -796.784792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.784792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.784792 (E_RNA) where: Base-Base interactions energy: -508.123 where: short stacking energy: -226.780 Base-Backbone interact. energy: 0.427 local terms energy: -289.088903 where: bonds (distance) C4'-P energy: -77.829 bonds (distance) P-C4' energy: -72.032 flat angles C4'-P-C4' energy: -82.125 flat angles P-C4'-P energy: -25.206 tors. eta vs tors. theta energy: -31.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -642.094302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.094302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.094302 (E_RNA) where: Base-Base interactions energy: -370.011 where: short stacking energy: -199.467 Base-Backbone interact. energy: -1.065 local terms energy: -271.017730 where: bonds (distance) C4'-P energy: -69.765 bonds (distance) P-C4' energy: -60.947 flat angles C4'-P-C4' energy: -66.770 flat angles P-C4'-P energy: -23.976 tors. eta vs tors. theta energy: -49.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -600.441142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.441142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.441142 (E_RNA) where: Base-Base interactions energy: -353.327 where: short stacking energy: -176.130 Base-Backbone interact. energy: -1.820 local terms energy: -245.294313 where: bonds (distance) C4'-P energy: -69.992 bonds (distance) P-C4' energy: -57.746 flat angles C4'-P-C4' energy: -58.991 flat angles P-C4'-P energy: -26.815 tors. eta vs tors. theta energy: -31.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -309.101286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.101286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.101286 (E_RNA) where: Base-Base interactions energy: -112.218 where: short stacking energy: -89.083 Base-Backbone interact. energy: -3.706 local terms energy: -193.177055 where: bonds (distance) C4'-P energy: -62.267 bonds (distance) P-C4' energy: -55.066 flat angles C4'-P-C4' energy: -48.775 flat angles P-C4'-P energy: -34.088 tors. eta vs tors. theta energy: 7.020 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: 4 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1420.515348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.515348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.515348 (E_RNA) where: Base-Base interactions energy: -980.145 where: short stacking energy: -423.545 Base-Backbone interact. energy: -1.375 local terms energy: -438.994758 where: bonds (distance) C4'-P energy: -83.074 bonds (distance) P-C4' energy: -80.347 flat angles C4'-P-C4' energy: -92.723 flat angles P-C4'-P energy: -58.349 tors. eta vs tors. theta energy: -124.501 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: 6 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1388.091349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.091349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.091349 (E_RNA) where: Base-Base interactions energy: -968.459 where: short stacking energy: -419.540 Base-Backbone interact. energy: -1.137 local terms energy: -418.494786 where: bonds (distance) C4'-P energy: -81.491 bonds (distance) P-C4' energy: -78.287 flat angles C4'-P-C4' energy: -78.503 flat angles P-C4'-P energy: -59.395 tors. eta vs tors. theta energy: -120.818 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: 10 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1338.225115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.225115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.225115 (E_RNA) where: Base-Base interactions energy: -940.064 where: short stacking energy: -415.369 Base-Backbone interact. energy: -0.909 local terms energy: -397.251767 where: bonds (distance) C4'-P energy: -70.762 bonds (distance) P-C4' energy: -67.889 flat angles C4'-P-C4' energy: -86.535 flat angles P-C4'-P energy: -53.354 tors. eta vs tors. theta energy: -118.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1277.541794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.541794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.541794 (E_RNA) where: Base-Base interactions energy: -881.023 where: short stacking energy: -376.455 Base-Backbone interact. energy: -0.556 local terms energy: -395.962025 where: bonds (distance) C4'-P energy: -71.692 bonds (distance) P-C4' energy: -68.362 flat angles C4'-P-C4' energy: -90.993 flat angles P-C4'-P energy: -60.234 tors. eta vs tors. theta energy: -104.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1191.934421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.934421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.934421 (E_RNA) where: Base-Base interactions energy: -800.600 where: short stacking energy: -358.673 Base-Backbone interact. energy: 1.549 local terms energy: -392.882983 where: bonds (distance) C4'-P energy: -66.114 bonds (distance) P-C4' energy: -78.182 flat angles C4'-P-C4' energy: -80.989 flat angles P-C4'-P energy: -53.317 tors. eta vs tors. theta energy: -114.282 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: 9 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1066.842168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.842168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.842168 (E_RNA) where: Base-Base interactions energy: -737.057 where: short stacking energy: -322.659 Base-Backbone interact. energy: -0.586 local terms energy: -329.199484 where: bonds (distance) C4'-P energy: -52.231 bonds (distance) P-C4' energy: -65.796 flat angles C4'-P-C4' energy: -71.276 flat angles P-C4'-P energy: -46.533 tors. eta vs tors. theta energy: -93.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -800.635758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.635758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.635758 (E_RNA) where: Base-Base interactions energy: -491.186 where: short stacking energy: -241.288 Base-Backbone interact. energy: -0.537 local terms energy: -308.912489 where: bonds (distance) C4'-P energy: -71.419 bonds (distance) P-C4' energy: -71.285 flat angles C4'-P-C4' energy: -70.008 flat angles P-C4'-P energy: -44.550 tors. eta vs tors. theta energy: -51.650 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: 1 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -638.897568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.897568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.897568 (E_RNA) where: Base-Base interactions energy: -380.202 where: short stacking energy: -215.724 Base-Backbone interact. energy: -1.657 local terms energy: -257.038800 where: bonds (distance) C4'-P energy: -61.053 bonds (distance) P-C4' energy: -66.077 flat angles C4'-P-C4' energy: -67.483 flat angles P-C4'-P energy: -28.214 tors. eta vs tors. theta energy: -34.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -590.986845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.986845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.986845 (E_RNA) where: Base-Base interactions energy: -341.231 where: short stacking energy: -148.900 Base-Backbone interact. energy: -1.119 local terms energy: -248.637008 where: bonds (distance) C4'-P energy: -66.675 bonds (distance) P-C4' energy: -74.279 flat angles C4'-P-C4' energy: -53.005 flat angles P-C4'-P energy: -46.634 tors. eta vs tors. theta energy: -8.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -311.188948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.188948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.188948 (E_RNA) where: Base-Base interactions energy: -101.696 where: short stacking energy: -92.191 Base-Backbone interact. energy: 1.527 local terms energy: -211.020470 where: bonds (distance) C4'-P energy: -59.976 bonds (distance) P-C4' energy: -60.890 flat angles C4'-P-C4' energy: -51.207 flat angles P-C4'-P energy: -39.690 tors. eta vs tors. theta energy: 0.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1404.637583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.637583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.637583 (E_RNA) where: Base-Base interactions energy: -961.649 where: short stacking energy: -396.679 Base-Backbone interact. energy: -0.418 local terms energy: -442.570443 where: bonds (distance) C4'-P energy: -81.001 bonds (distance) P-C4' energy: -77.042 flat angles C4'-P-C4' energy: -87.222 flat angles P-C4'-P energy: -73.646 tors. eta vs tors. theta energy: -123.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1386.499371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.499371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.499371 (E_RNA) where: Base-Base interactions energy: -960.301 where: short stacking energy: -432.935 Base-Backbone interact. energy: -2.864 local terms energy: -423.334149 where: bonds (distance) C4'-P energy: -72.997 bonds (distance) P-C4' energy: -71.027 flat angles C4'-P-C4' energy: -92.749 flat angles P-C4'-P energy: -61.233 tors. eta vs tors. theta energy: -125.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1346.232388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.232388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.232388 (E_RNA) where: Base-Base interactions energy: -951.491 where: short stacking energy: -401.248 Base-Backbone interact. energy: -1.193 local terms energy: -393.548775 where: bonds (distance) C4'-P energy: -69.486 bonds (distance) P-C4' energy: -69.592 flat angles C4'-P-C4' energy: -85.375 flat angles P-C4'-P energy: -55.250 tors. eta vs tors. theta energy: -113.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1294.431918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.431918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.431918 (E_RNA) where: Base-Base interactions energy: -895.137 where: short stacking energy: -387.173 Base-Backbone interact. energy: -2.374 local terms energy: -396.920982 where: bonds (distance) C4'-P energy: -72.824 bonds (distance) P-C4' energy: -74.601 flat angles C4'-P-C4' energy: -75.822 flat angles P-C4'-P energy: -59.204 tors. eta vs tors. theta energy: -114.470 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: 2 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1201.342594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.342594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.342594 (E_RNA) where: Base-Base interactions energy: -809.783 where: short stacking energy: -375.393 Base-Backbone interact. energy: 0.621 local terms energy: -392.180954 where: bonds (distance) C4'-P energy: -67.405 bonds (distance) P-C4' energy: -73.401 flat angles C4'-P-C4' energy: -81.951 flat angles P-C4'-P energy: -55.199 tors. eta vs tors. theta energy: -114.225 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: 451 Temperature: 1.150000 Total energy: -1083.831057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.831057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.831057 (E_RNA) where: Base-Base interactions energy: -710.927 where: short stacking energy: -336.436 Base-Backbone interact. energy: -0.034 local terms energy: -372.869677 where: bonds (distance) C4'-P energy: -77.382 bonds (distance) P-C4' energy: -70.044 flat angles C4'-P-C4' energy: -75.616 flat angles P-C4'-P energy: -54.267 tors. eta vs tors. theta energy: -95.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -807.410618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.410618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.410618 (E_RNA) where: Base-Base interactions energy: -490.895 where: short stacking energy: -236.038 Base-Backbone interact. energy: -3.928 local terms energy: -312.587302 where: bonds (distance) C4'-P energy: -59.898 bonds (distance) P-C4' energy: -76.310 flat angles C4'-P-C4' energy: -78.403 flat angles P-C4'-P energy: -40.111 tors. eta vs tors. theta energy: -57.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -651.547720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.547720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.547720 (E_RNA) where: Base-Base interactions energy: -384.432 where: short stacking energy: -199.419 Base-Backbone interact. energy: 0.270 local terms energy: -267.385407 where: bonds (distance) C4'-P energy: -67.084 bonds (distance) P-C4' energy: -71.866 flat angles C4'-P-C4' energy: -55.744 flat angles P-C4'-P energy: -43.405 tors. eta vs tors. theta energy: -29.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -602.625995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.625995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.625995 (E_RNA) where: Base-Base interactions energy: -348.039 where: short stacking energy: -168.191 Base-Backbone interact. energy: 1.819 local terms energy: -256.406457 where: bonds (distance) C4'-P energy: -69.482 bonds (distance) P-C4' energy: -69.566 flat angles C4'-P-C4' energy: -53.147 flat angles P-C4'-P energy: -38.282 tors. eta vs tors. theta energy: -25.930 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: 451 Temperature: 1.350000 Total energy: -325.003569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.003569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.003569 (E_RNA) where: Base-Base interactions energy: -96.909 where: short stacking energy: -85.123 Base-Backbone interact. energy: 0.260 local terms energy: -228.355097 where: bonds (distance) C4'-P energy: -59.920 bonds (distance) P-C4' energy: -76.491 flat angles C4'-P-C4' energy: -64.324 flat angles P-C4'-P energy: -29.349 tors. eta vs tors. theta energy: 1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1422.649077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.649077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.649077 (E_RNA) where: Base-Base interactions energy: -977.553 where: short stacking energy: -435.823 Base-Backbone interact. energy: -1.333 local terms energy: -443.764057 where: bonds (distance) C4'-P energy: -67.898 bonds (distance) P-C4' energy: -82.868 flat angles C4'-P-C4' energy: -92.746 flat angles P-C4'-P energy: -65.237 tors. eta vs tors. theta energy: -135.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1373.577191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.577191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.577191 (E_RNA) where: Base-Base interactions energy: -962.529 where: short stacking energy: -417.051 Base-Backbone interact. energy: -0.242 local terms energy: -410.806737 where: bonds (distance) C4'-P energy: -65.469 bonds (distance) P-C4' energy: -74.800 flat angles C4'-P-C4' energy: -88.824 flat angles P-C4'-P energy: -53.178 tors. eta vs tors. theta energy: -128.535 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: 6 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1340.743994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.743994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.743994 (E_RNA) where: Base-Base interactions energy: -943.924 where: short stacking energy: -400.903 Base-Backbone interact. energy: -1.490 local terms energy: -395.329952 where: bonds (distance) C4'-P energy: -65.315 bonds (distance) P-C4' energy: -66.920 flat angles C4'-P-C4' energy: -79.530 flat angles P-C4'-P energy: -59.802 tors. eta vs tors. theta energy: -123.762 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: 452 Temperature: 1.050000 Total energy: -1280.090616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.090616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.090616 (E_RNA) where: Base-Base interactions energy: -880.422 where: short stacking energy: -381.165 Base-Backbone interact. energy: 0.370 local terms energy: -400.039513 where: bonds (distance) C4'-P energy: -79.258 bonds (distance) P-C4' energy: -71.929 flat angles C4'-P-C4' energy: -87.016 flat angles P-C4'-P energy: -52.798 tors. eta vs tors. theta energy: -109.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1208.623769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.623769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.623769 (E_RNA) where: Base-Base interactions energy: -815.170 where: short stacking energy: -378.711 Base-Backbone interact. energy: -2.004 local terms energy: -391.449785 where: bonds (distance) C4'-P energy: -63.544 bonds (distance) P-C4' energy: -74.241 flat angles C4'-P-C4' energy: -80.654 flat angles P-C4'-P energy: -53.002 tors. eta vs tors. theta energy: -120.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1064.358446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.358446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.358446 (E_RNA) where: Base-Base interactions energy: -708.059 where: short stacking energy: -302.613 Base-Backbone interact. energy: -1.636 local terms energy: -354.664359 where: bonds (distance) C4'-P energy: -68.155 bonds (distance) P-C4' energy: -64.226 flat angles C4'-P-C4' energy: -88.146 flat angles P-C4'-P energy: -48.834 tors. eta vs tors. theta energy: -85.303 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: 7 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -840.016407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.016407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.016407 (E_RNA) where: Base-Base interactions energy: -536.428 where: short stacking energy: -241.664 Base-Backbone interact. energy: -0.564 local terms energy: -303.024441 where: bonds (distance) C4'-P energy: -68.522 bonds (distance) P-C4' energy: -71.423 flat angles C4'-P-C4' energy: -69.801 flat angles P-C4'-P energy: -43.727 tors. eta vs tors. theta energy: -49.551 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: 5 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -617.384386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.384386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.384386 (E_RNA) where: Base-Base interactions energy: -371.520 where: short stacking energy: -199.039 Base-Backbone interact. energy: -4.082 local terms energy: -241.782672 where: bonds (distance) C4'-P energy: -57.557 bonds (distance) P-C4' energy: -66.171 flat angles C4'-P-C4' energy: -61.068 flat angles P-C4'-P energy: -26.629 tors. eta vs tors. theta energy: -30.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -549.003264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.003264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.003264 (E_RNA) where: Base-Base interactions energy: -315.073 where: short stacking energy: -165.380 Base-Backbone interact. energy: -2.710 local terms energy: -231.220578 where: bonds (distance) C4'-P energy: -63.291 bonds (distance) P-C4' energy: -58.307 flat angles C4'-P-C4' energy: -56.220 flat angles P-C4'-P energy: -36.778 tors. eta vs tors. theta energy: -16.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -313.746725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.746725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.746725 (E_RNA) where: Base-Base interactions energy: -109.134 where: short stacking energy: -98.061 Base-Backbone interact. energy: -4.216 local terms energy: -200.396938 where: bonds (distance) C4'-P energy: -54.985 bonds (distance) P-C4' energy: -67.547 flat angles C4'-P-C4' energy: -63.682 flat angles P-C4'-P energy: -24.179 tors. eta vs tors. theta energy: 9.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1402.592262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.592262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.592262 (E_RNA) where: Base-Base interactions energy: -962.170 where: short stacking energy: -434.249 Base-Backbone interact. energy: -1.031 local terms energy: -439.391146 where: bonds (distance) C4'-P energy: -77.412 bonds (distance) P-C4' energy: -82.194 flat angles C4'-P-C4' energy: -80.726 flat angles P-C4'-P energy: -67.699 tors. eta vs tors. theta energy: -131.361 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: 6 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1383.226162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.226162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.226162 (E_RNA) where: Base-Base interactions energy: -954.650 where: short stacking energy: -413.952 Base-Backbone interact. energy: -1.742 local terms energy: -426.834310 where: bonds (distance) C4'-P energy: -78.478 bonds (distance) P-C4' energy: -77.630 flat angles C4'-P-C4' energy: -96.961 flat angles P-C4'-P energy: -55.404 tors. eta vs tors. theta energy: -118.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1338.591788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.591788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.591788 (E_RNA) where: Base-Base interactions energy: -922.351 where: short stacking energy: -408.595 Base-Backbone interact. energy: -0.332 local terms energy: -415.909584 where: bonds (distance) C4'-P energy: -63.525 bonds (distance) P-C4' energy: -81.609 flat angles C4'-P-C4' energy: -84.114 flat angles P-C4'-P energy: -58.707 tors. eta vs tors. theta energy: -127.955 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: 3 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1298.135498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.135498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.135498 (E_RNA) where: Base-Base interactions energy: -901.253 where: short stacking energy: -385.803 Base-Backbone interact. energy: -1.485 local terms energy: -395.397941 where: bonds (distance) C4'-P energy: -72.182 bonds (distance) P-C4' energy: -76.195 flat angles C4'-P-C4' energy: -85.626 flat angles P-C4'-P energy: -52.252 tors. eta vs tors. theta energy: -109.142 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: 2 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1182.961507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.961507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.961507 (E_RNA) where: Base-Base interactions energy: -794.699 where: short stacking energy: -358.103 Base-Backbone interact. energy: 0.174 local terms energy: -388.437407 where: bonds (distance) C4'-P energy: -75.299 bonds (distance) P-C4' energy: -73.470 flat angles C4'-P-C4' energy: -82.842 flat angles P-C4'-P energy: -47.297 tors. eta vs tors. theta energy: -109.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1093.566241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.566241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.566241 (E_RNA) where: Base-Base interactions energy: -742.305 where: short stacking energy: -326.164 Base-Backbone interact. energy: -2.558 local terms energy: -348.703080 where: bonds (distance) C4'-P energy: -71.871 bonds (distance) P-C4' energy: -73.400 flat angles C4'-P-C4' energy: -78.944 flat angles P-C4'-P energy: -36.938 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: 7, replica: 7 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -828.286189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.286189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.286189 (E_RNA) where: Base-Base interactions energy: -533.727 where: short stacking energy: -250.257 Base-Backbone interact. energy: -1.805 local terms energy: -292.754632 where: bonds (distance) C4'-P energy: -64.879 bonds (distance) P-C4' energy: -64.506 flat angles C4'-P-C4' energy: -71.680 flat angles P-C4'-P energy: -39.306 tors. eta vs tors. theta energy: -52.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -623.842738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.842738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.842738 (E_RNA) where: Base-Base interactions energy: -374.153 where: short stacking energy: -212.308 Base-Backbone interact. energy: -0.696 local terms energy: -248.994260 where: bonds (distance) C4'-P energy: -59.559 bonds (distance) P-C4' energy: -73.110 flat angles C4'-P-C4' energy: -53.676 flat angles P-C4'-P energy: -30.607 tors. eta vs tors. theta energy: -32.042 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: 5 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -593.495794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.495794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.495794 (E_RNA) where: Base-Base interactions energy: -358.515 where: short stacking energy: -165.258 Base-Backbone interact. energy: -1.307 local terms energy: -233.674021 where: bonds (distance) C4'-P energy: -51.628 bonds (distance) P-C4' energy: -67.165 flat angles C4'-P-C4' energy: -57.296 flat angles P-C4'-P energy: -43.853 tors. eta vs tors. theta energy: -13.732 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: 453 Temperature: 1.350000 Total energy: -309.333696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.333696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.333696 (E_RNA) where: Base-Base interactions energy: -99.050 where: short stacking energy: -93.737 Base-Backbone interact. energy: -3.614 local terms energy: -206.670617 where: bonds (distance) C4'-P energy: -67.179 bonds (distance) P-C4' energy: -62.114 flat angles C4'-P-C4' energy: -49.705 flat angles P-C4'-P energy: -34.801 tors. eta vs tors. theta energy: 7.128 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: 10 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1418.162430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.162430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.162430 (E_RNA) where: Base-Base interactions energy: -961.798 where: short stacking energy: -414.282 Base-Backbone interact. energy: -0.428 local terms energy: -455.936240 where: bonds (distance) C4'-P energy: -87.168 bonds (distance) P-C4' energy: -80.321 flat angles C4'-P-C4' energy: -93.346 flat angles P-C4'-P energy: -65.150 tors. eta vs tors. theta energy: -129.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1367.558811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.558811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.558811 (E_RNA) where: Base-Base interactions energy: -968.168 where: short stacking energy: -405.446 Base-Backbone interact. energy: 3.085 local terms energy: -402.475867 where: bonds (distance) C4'-P energy: -69.920 bonds (distance) P-C4' energy: -73.230 flat angles C4'-P-C4' energy: -80.773 flat angles P-C4'-P energy: -60.355 tors. eta vs tors. theta energy: -118.198 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: 454 Temperature: 1.000000 Total energy: -1347.157773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.157773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.157773 (E_RNA) where: Base-Base interactions energy: -932.045 where: short stacking energy: -406.110 Base-Backbone interact. energy: -1.653 local terms energy: -413.459971 where: bonds (distance) C4'-P energy: -70.719 bonds (distance) P-C4' energy: -70.131 flat angles C4'-P-C4' energy: -93.462 flat angles P-C4'-P energy: -58.259 tors. eta vs tors. theta energy: -120.890 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: 3 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1286.218145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.218145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.218145 (E_RNA) where: Base-Base interactions energy: -894.814 where: short stacking energy: -381.806 Base-Backbone interact. energy: -2.154 local terms energy: -389.250729 where: bonds (distance) C4'-P energy: -65.023 bonds (distance) P-C4' energy: -69.256 flat angles C4'-P-C4' energy: -82.809 flat angles P-C4'-P energy: -60.800 tors. eta vs tors. theta energy: -111.363 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: 2 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1205.810529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.810529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.810529 (E_RNA) where: Base-Base interactions energy: -817.606 where: short stacking energy: -365.699 Base-Backbone interact. energy: -1.487 local terms energy: -386.717439 where: bonds (distance) C4'-P energy: -70.693 bonds (distance) P-C4' energy: -71.303 flat angles C4'-P-C4' energy: -81.018 flat angles P-C4'-P energy: -43.778 tors. eta vs tors. theta energy: -119.925 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: 454 Temperature: 1.150000 Total energy: -1077.374204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.374204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.374204 (E_RNA) where: Base-Base interactions energy: -701.488 where: short stacking energy: -325.737 Base-Backbone interact. energy: -1.100 local terms energy: -374.786471 where: bonds (distance) C4'-P energy: -66.582 bonds (distance) P-C4' energy: -74.697 flat angles C4'-P-C4' energy: -88.880 flat angles P-C4'-P energy: -45.291 tors. eta vs tors. theta energy: -99.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -848.556066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.556066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.556066 (E_RNA) where: Base-Base interactions energy: -527.325 where: short stacking energy: -264.865 Base-Backbone interact. energy: -1.121 local terms energy: -320.110168 where: bonds (distance) C4'-P energy: -63.868 bonds (distance) P-C4' energy: -53.403 flat angles C4'-P-C4' energy: -74.687 flat angles P-C4'-P energy: -55.549 tors. eta vs tors. theta energy: -72.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -574.024744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.024744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.024744 (E_RNA) where: Base-Base interactions energy: -310.484 where: short stacking energy: -164.437 Base-Backbone interact. energy: -0.283 local terms energy: -263.257774 where: bonds (distance) C4'-P energy: -69.258 bonds (distance) P-C4' energy: -67.169 flat angles C4'-P-C4' energy: -71.048 flat angles P-C4'-P energy: -43.815 tors. eta vs tors. theta energy: -11.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -638.688031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.688031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.688031 (E_RNA) where: Base-Base interactions energy: -404.044 where: short stacking energy: -188.346 Base-Backbone interact. energy: 0.273 local terms energy: -234.916575 where: bonds (distance) C4'-P energy: -50.120 bonds (distance) P-C4' energy: -63.018 flat angles C4'-P-C4' energy: -65.740 flat angles P-C4'-P energy: -24.147 tors. eta vs tors. theta energy: -31.892 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: 454 Temperature: 1.350000 Total energy: -326.063260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.063260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.063260 (E_RNA) where: Base-Base interactions energy: -132.214 where: short stacking energy: -102.356 Base-Backbone interact. energy: -0.659 local terms energy: -193.189645 where: bonds (distance) C4'-P energy: -57.188 bonds (distance) P-C4' energy: -62.946 flat angles C4'-P-C4' energy: -51.238 flat angles P-C4'-P energy: -30.706 tors. eta vs tors. theta energy: 8.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1425.166628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.166628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.166628 (E_RNA) where: Base-Base interactions energy: -979.035 where: short stacking energy: -443.140 Base-Backbone interact. energy: -1.134 local terms energy: -444.997312 where: bonds (distance) C4'-P energy: -71.285 bonds (distance) P-C4' energy: -83.800 flat angles C4'-P-C4' energy: -94.205 flat angles P-C4'-P energy: -63.414 tors. eta vs tors. theta energy: -132.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1370.227647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.227647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.227647 (E_RNA) where: Base-Base interactions energy: -940.314 where: short stacking energy: -423.135 Base-Backbone interact. energy: -4.671 local terms energy: -425.242271 where: bonds (distance) C4'-P energy: -69.924 bonds (distance) P-C4' energy: -73.641 flat angles C4'-P-C4' energy: -91.441 flat angles P-C4'-P energy: -61.458 tors. eta vs tors. theta energy: -128.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1337.386431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.386431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.386431 (E_RNA) where: Base-Base interactions energy: -922.442 where: short stacking energy: -386.845 Base-Backbone interact. energy: -1.732 local terms energy: -413.212973 where: bonds (distance) C4'-P energy: -66.568 bonds (distance) P-C4' energy: -82.414 flat angles C4'-P-C4' energy: -80.076 flat angles P-C4'-P energy: -62.548 tors. eta vs tors. theta energy: -121.606 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: 3 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1276.430828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.430828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.430828 (E_RNA) where: Base-Base interactions energy: -879.173 where: short stacking energy: -373.242 Base-Backbone interact. energy: 0.645 local terms energy: -397.902786 where: bonds (distance) C4'-P energy: -72.628 bonds (distance) P-C4' energy: -81.124 flat angles C4'-P-C4' energy: -81.175 flat angles P-C4'-P energy: -52.078 tors. eta vs tors. theta energy: -110.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1224.406395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.406395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.406395 (E_RNA) where: Base-Base interactions energy: -823.912 where: short stacking energy: -365.035 Base-Backbone interact. energy: -0.721 local terms energy: -399.773028 where: bonds (distance) C4'-P energy: -66.496 bonds (distance) P-C4' energy: -69.200 flat angles C4'-P-C4' energy: -84.592 flat angles P-C4'-P energy: -63.422 tors. eta vs tors. theta energy: -116.062 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: 6, replica: 9 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1047.572775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.572775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.572775 (E_RNA) where: Base-Base interactions energy: -695.717 where: short stacking energy: -318.302 Base-Backbone interact. energy: 0.276 local terms energy: -352.131902 where: bonds (distance) C4'-P energy: -73.695 bonds (distance) P-C4' energy: -79.146 flat angles C4'-P-C4' energy: -73.032 flat angles P-C4'-P energy: -45.081 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: 7, replica: 7 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -772.172438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.172438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.172438 (E_RNA) where: Base-Base interactions energy: -473.855 where: short stacking energy: -205.479 Base-Backbone interact. energy: -0.750 local terms energy: -297.567997 where: bonds (distance) C4'-P energy: -70.383 bonds (distance) P-C4' energy: -71.381 flat angles C4'-P-C4' energy: -66.194 flat angles P-C4'-P energy: -44.008 tors. eta vs tors. theta energy: -45.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -606.135096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.135096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.135096 (E_RNA) where: Base-Base interactions energy: -358.895 where: short stacking energy: -193.800 Base-Backbone interact. energy: -1.607 local terms energy: -245.633453 where: bonds (distance) C4'-P energy: -65.397 bonds (distance) P-C4' energy: -61.190 flat angles C4'-P-C4' energy: -55.965 flat angles P-C4'-P energy: -39.718 tors. eta vs tors. theta energy: -23.363 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: 1 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -527.467960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.467960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.467960 (E_RNA) where: Base-Base interactions energy: -286.752 where: short stacking energy: -144.005 Base-Backbone interact. energy: 2.365 local terms energy: -243.080993 where: bonds (distance) C4'-P energy: -55.066 bonds (distance) P-C4' energy: -73.812 flat angles C4'-P-C4' energy: -57.493 flat angles P-C4'-P energy: -48.874 tors. eta vs tors. theta energy: -7.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -358.510936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.510936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.510936 (E_RNA) where: Base-Base interactions energy: -147.614 where: short stacking energy: -125.199 Base-Backbone interact. energy: 0.158 local terms energy: -211.055047 where: bonds (distance) C4'-P energy: -58.887 bonds (distance) P-C4' energy: -63.146 flat angles C4'-P-C4' energy: -59.306 flat angles P-C4'-P energy: -38.212 tors. eta vs tors. theta energy: 8.496 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: 10 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1418.955961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.955961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.955961 (E_RNA) where: Base-Base interactions energy: -983.832 where: short stacking energy: -431.744 Base-Backbone interact. energy: 1.743 local terms energy: -436.867510 where: bonds (distance) C4'-P energy: -81.962 bonds (distance) P-C4' energy: -71.817 flat angles C4'-P-C4' energy: -94.397 flat angles P-C4'-P energy: -63.091 tors. eta vs tors. theta energy: -125.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1376.477511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.477511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.477511 (E_RNA) where: Base-Base interactions energy: -960.763 where: short stacking energy: -416.782 Base-Backbone interact. energy: 1.147 local terms energy: -416.861727 where: bonds (distance) C4'-P energy: -73.153 bonds (distance) P-C4' energy: -74.549 flat angles C4'-P-C4' energy: -90.039 flat angles P-C4'-P energy: -58.728 tors. eta vs tors. theta energy: -120.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1316.836420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.836420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.836420 (E_RNA) where: Base-Base interactions energy: -899.420 where: short stacking energy: -384.191 Base-Backbone interact. energy: 2.224 local terms energy: -419.640407 where: bonds (distance) C4'-P energy: -76.073 bonds (distance) P-C4' energy: -83.641 flat angles C4'-P-C4' energy: -89.176 flat angles P-C4'-P energy: -51.479 tors. eta vs tors. theta energy: -119.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1245.121148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.121148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.121148 (E_RNA) where: Base-Base interactions energy: -849.824 where: short stacking energy: -366.630 Base-Backbone interact. energy: -0.475 local terms energy: -394.822649 where: bonds (distance) C4'-P energy: -78.069 bonds (distance) P-C4' energy: -80.100 flat angles C4'-P-C4' energy: -78.827 flat angles P-C4'-P energy: -50.618 tors. eta vs tors. theta energy: -107.209 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: 456 Temperature: 1.100000 Total energy: -1208.318131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.318131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.318131 (E_RNA) where: Base-Base interactions energy: -816.370 where: short stacking energy: -376.820 Base-Backbone interact. energy: -2.455 local terms energy: -389.492691 where: bonds (distance) C4'-P energy: -70.870 bonds (distance) P-C4' energy: -74.749 flat angles C4'-P-C4' energy: -78.035 flat angles P-C4'-P energy: -54.047 tors. eta vs tors. theta energy: -111.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1051.099900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.099900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.099900 (E_RNA) where: Base-Base interactions energy: -714.072 where: short stacking energy: -317.218 Base-Backbone interact. energy: 1.177 local terms energy: -338.205114 where: bonds (distance) C4'-P energy: -74.685 bonds (distance) P-C4' energy: -57.801 flat angles C4'-P-C4' energy: -68.817 flat angles P-C4'-P energy: -50.491 tors. eta vs tors. theta energy: -86.410 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: 7 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -799.619088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.619088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.619088 (E_RNA) where: Base-Base interactions energy: -503.383 where: short stacking energy: -238.346 Base-Backbone interact. energy: 0.715 local terms energy: -296.951423 where: bonds (distance) C4'-P energy: -50.481 bonds (distance) P-C4' energy: -65.814 flat angles C4'-P-C4' energy: -75.895 flat angles P-C4'-P energy: -54.936 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: 8, replica: 5 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -605.771250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.771250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.771250 (E_RNA) where: Base-Base interactions energy: -329.758 where: short stacking energy: -171.004 Base-Backbone interact. energy: -2.163 local terms energy: -273.850179 where: bonds (distance) C4'-P energy: -76.245 bonds (distance) P-C4' energy: -73.983 flat angles C4'-P-C4' energy: -70.085 flat angles P-C4'-P energy: -34.291 tors. eta vs tors. theta energy: -19.246 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: 1 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -528.572736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.572736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.572736 (E_RNA) where: Base-Base interactions energy: -287.732 where: short stacking energy: -145.792 Base-Backbone interact. energy: -0.787 local terms energy: -240.053156 where: bonds (distance) C4'-P energy: -61.226 bonds (distance) P-C4' energy: -77.165 flat angles C4'-P-C4' energy: -61.937 flat angles P-C4'-P energy: -22.532 tors. eta vs tors. theta energy: -17.193 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: 10, replica: 8 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -350.412943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.412943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.412943 (E_RNA) where: Base-Base interactions energy: -108.749 where: short stacking energy: -84.087 Base-Backbone interact. energy: -1.344 local terms energy: -240.319415 where: bonds (distance) C4'-P energy: -71.403 bonds (distance) P-C4' energy: -79.594 flat angles C4'-P-C4' energy: -54.385 flat angles P-C4'-P energy: -28.976 tors. eta vs tors. theta energy: -5.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1417.435113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.435113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.435113 (E_RNA) where: Base-Base interactions energy: -989.921 where: short stacking energy: -442.452 Base-Backbone interact. energy: -0.729 local terms energy: -426.784847 where: bonds (distance) C4'-P energy: -78.515 bonds (distance) P-C4' energy: -79.729 flat angles C4'-P-C4' energy: -83.949 flat angles P-C4'-P energy: -60.930 tors. eta vs tors. theta energy: -123.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1361.808698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.808698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.808698 (E_RNA) where: Base-Base interactions energy: -965.206 where: short stacking energy: -417.952 Base-Backbone interact. energy: -2.273 local terms energy: -394.329492 where: bonds (distance) C4'-P energy: -61.005 bonds (distance) P-C4' energy: -71.733 flat angles C4'-P-C4' energy: -91.255 flat angles P-C4'-P energy: -54.631 tors. eta vs tors. theta energy: -115.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1331.446862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.446862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.446862 (E_RNA) where: Base-Base interactions energy: -917.509 where: short stacking energy: -375.474 Base-Backbone interact. energy: -1.275 local terms energy: -412.663253 where: bonds (distance) C4'-P energy: -72.631 bonds (distance) P-C4' energy: -75.594 flat angles C4'-P-C4' energy: -91.162 flat angles P-C4'-P energy: -55.894 tors. eta vs tors. theta energy: -117.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1258.157389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.157389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.157389 (E_RNA) where: Base-Base interactions energy: -874.580 where: short stacking energy: -364.338 Base-Backbone interact. energy: 2.646 local terms energy: -386.223756 where: bonds (distance) C4'-P energy: -72.881 bonds (distance) P-C4' energy: -69.929 flat angles C4'-P-C4' energy: -77.602 flat angles P-C4'-P energy: -57.735 tors. eta vs tors. theta energy: -108.076 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: 2 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1235.137728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.137728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.137728 (E_RNA) where: Base-Base interactions energy: -818.859 where: short stacking energy: -393.177 Base-Backbone interact. energy: -0.916 local terms energy: -415.362659 where: bonds (distance) C4'-P energy: -78.022 bonds (distance) P-C4' energy: -74.911 flat angles C4'-P-C4' energy: -86.546 flat angles P-C4'-P energy: -56.226 tors. eta vs tors. theta energy: -119.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1064.376636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.376636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.376636 (E_RNA) where: Base-Base interactions energy: -703.232 where: short stacking energy: -308.321 Base-Backbone interact. energy: -1.408 local terms energy: -359.736656 where: bonds (distance) C4'-P energy: -71.814 bonds (distance) P-C4' energy: -75.316 flat angles C4'-P-C4' energy: -79.902 flat angles P-C4'-P energy: -49.104 tors. eta vs tors. theta energy: -83.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -799.505356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.505356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.505356 (E_RNA) where: Base-Base interactions energy: -478.590 where: short stacking energy: -214.560 Base-Backbone interact. energy: 0.407 local terms energy: -321.322425 where: bonds (distance) C4'-P energy: -74.856 bonds (distance) P-C4' energy: -64.757 flat angles C4'-P-C4' energy: -86.517 flat angles P-C4'-P energy: -42.197 tors. eta vs tors. theta energy: -52.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -646.038252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.038252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.038252 (E_RNA) where: Base-Base interactions energy: -388.294 where: short stacking energy: -181.766 Base-Backbone interact. energy: -1.985 local terms energy: -255.759027 where: bonds (distance) C4'-P energy: -60.013 bonds (distance) P-C4' energy: -62.338 flat angles C4'-P-C4' energy: -57.415 flat angles P-C4'-P energy: -41.786 tors. eta vs tors. theta energy: -34.206 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: 9, replica: 1 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -514.286794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.286794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.286794 (E_RNA) where: Base-Base interactions energy: -292.570 where: short stacking energy: -158.625 Base-Backbone interact. energy: 0.091 local terms energy: -221.807353 where: bonds (distance) C4'-P energy: -61.604 bonds (distance) P-C4' energy: -60.657 flat angles C4'-P-C4' energy: -58.434 flat angles P-C4'-P energy: -26.431 tors. eta vs tors. theta energy: -14.681 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: 8 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -319.503143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.503143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.503143 (E_RNA) where: Base-Base interactions energy: -110.878 where: short stacking energy: -100.397 Base-Backbone interact. energy: 0.901 local terms energy: -209.526016 where: bonds (distance) C4'-P energy: -59.314 bonds (distance) P-C4' energy: -71.705 flat angles C4'-P-C4' energy: -59.651 flat angles P-C4'-P energy: -30.294 tors. eta vs tors. theta energy: 11.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1420.204626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.204626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.204626 (E_RNA) where: Base-Base interactions energy: -969.491 where: short stacking energy: -437.031 Base-Backbone interact. energy: -1.653 local terms energy: -449.060920 where: bonds (distance) C4'-P energy: -80.194 bonds (distance) P-C4' energy: -79.226 flat angles C4'-P-C4' energy: -88.656 flat angles P-C4'-P energy: -68.215 tors. eta vs tors. theta energy: -132.770 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: 458 Temperature: 0.950000 Total energy: -1365.048581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.048581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.048581 (E_RNA) where: Base-Base interactions energy: -950.232 where: short stacking energy: -399.508 Base-Backbone interact. energy: -1.130 local terms energy: -413.687093 where: bonds (distance) C4'-P energy: -66.490 bonds (distance) P-C4' energy: -77.528 flat angles C4'-P-C4' energy: -87.532 flat angles P-C4'-P energy: -63.174 tors. eta vs tors. theta energy: -118.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1268.223277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.223277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.223277 (E_RNA) where: Base-Base interactions energy: -878.467 where: short stacking energy: -371.968 Base-Backbone interact. energy: -1.790 local terms energy: -387.966789 where: bonds (distance) C4'-P energy: -62.609 bonds (distance) P-C4' energy: -76.199 flat angles C4'-P-C4' energy: -86.627 flat angles P-C4'-P energy: -61.286 tors. eta vs tors. theta energy: -101.245 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: 3 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1263.419817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.419817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.419817 (E_RNA) where: Base-Base interactions energy: -872.893 where: short stacking energy: -376.406 Base-Backbone interact. energy: -3.536 local terms energy: -386.990889 where: bonds (distance) C4'-P energy: -71.334 bonds (distance) P-C4' energy: -77.610 flat angles C4'-P-C4' energy: -75.427 flat angles P-C4'-P energy: -54.793 tors. eta vs tors. theta energy: -107.827 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: 2 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1199.209194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.209194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.209194 (E_RNA) where: Base-Base interactions energy: -810.045 where: short stacking energy: -367.654 Base-Backbone interact. energy: 1.095 local terms energy: -390.259073 where: bonds (distance) C4'-P energy: -79.241 bonds (distance) P-C4' energy: -71.963 flat angles C4'-P-C4' energy: -86.646 flat angles P-C4'-P energy: -42.966 tors. eta vs tors. theta energy: -109.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1015.680578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.680578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.680578 (E_RNA) where: Base-Base interactions energy: -681.336 where: short stacking energy: -305.465 Base-Backbone interact. energy: 0.967 local terms energy: -335.312123 where: bonds (distance) C4'-P energy: -67.563 bonds (distance) P-C4' energy: -64.467 flat angles C4'-P-C4' energy: -79.689 flat angles P-C4'-P energy: -46.046 tors. eta vs tors. theta energy: -77.548 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: 7 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -829.058098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.058098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.058098 (E_RNA) where: Base-Base interactions energy: -517.421 where: short stacking energy: -249.289 Base-Backbone interact. energy: -1.201 local terms energy: -310.435710 where: bonds (distance) C4'-P energy: -63.535 bonds (distance) P-C4' energy: -65.046 flat angles C4'-P-C4' energy: -66.749 flat angles P-C4'-P energy: -51.876 tors. eta vs tors. theta energy: -63.230 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: 458 Temperature: 1.250000 Total energy: -636.545970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.545970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.545970 (E_RNA) where: Base-Base interactions energy: -367.266 where: short stacking energy: -166.860 Base-Backbone interact. energy: -1.921 local terms energy: -267.359644 where: bonds (distance) C4'-P energy: -70.506 bonds (distance) P-C4' energy: -61.180 flat angles C4'-P-C4' energy: -73.449 flat angles P-C4'-P energy: -39.968 tors. eta vs tors. theta energy: -22.256 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: 1 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -458.903861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.903861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.903861 (E_RNA) where: Base-Base interactions energy: -232.418 where: short stacking energy: -134.275 Base-Backbone interact. energy: -0.786 local terms energy: -225.699228 where: bonds (distance) C4'-P energy: -64.320 bonds (distance) P-C4' energy: -62.568 flat angles C4'-P-C4' energy: -53.113 flat angles P-C4'-P energy: -37.287 tors. eta vs tors. theta energy: -8.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -323.731188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.731188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.731188 (E_RNA) where: Base-Base interactions energy: -124.063 where: short stacking energy: -73.461 Base-Backbone interact. energy: 0.413 local terms energy: -200.081124 where: bonds (distance) C4'-P energy: -69.811 bonds (distance) P-C4' energy: -69.896 flat angles C4'-P-C4' energy: -41.793 flat angles P-C4'-P energy: -30.708 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: 10 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1422.261948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.261948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.261948 (E_RNA) where: Base-Base interactions energy: -986.515 where: short stacking energy: -455.191 Base-Backbone interact. energy: -0.679 local terms energy: -435.068102 where: bonds (distance) C4'-P energy: -72.628 bonds (distance) P-C4' energy: -78.541 flat angles C4'-P-C4' energy: -91.741 flat angles P-C4'-P energy: -54.079 tors. eta vs tors. theta energy: -138.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1385.642672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.642672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.642672 (E_RNA) where: Base-Base interactions energy: -960.883 where: short stacking energy: -403.241 Base-Backbone interact. energy: -0.595 local terms energy: -424.164633 where: bonds (distance) C4'-P energy: -82.195 bonds (distance) P-C4' energy: -78.804 flat angles C4'-P-C4' energy: -90.198 flat angles P-C4'-P energy: -56.849 tors. eta vs tors. theta energy: -116.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1356.146783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.146783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.146783 (E_RNA) where: Base-Base interactions energy: -945.983 where: short stacking energy: -410.916 Base-Backbone interact. energy: -1.527 local terms energy: -408.637603 where: bonds (distance) C4'-P energy: -72.481 bonds (distance) P-C4' energy: -75.606 flat angles C4'-P-C4' energy: -78.646 flat angles P-C4'-P energy: -57.371 tors. eta vs tors. theta energy: -124.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1225.785519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.785519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.785519 (E_RNA) where: Base-Base interactions energy: -835.883 where: short stacking energy: -382.942 Base-Backbone interact. energy: -0.715 local terms energy: -389.187489 where: bonds (distance) C4'-P energy: -73.722 bonds (distance) P-C4' energy: -68.284 flat angles C4'-P-C4' energy: -79.739 flat angles P-C4'-P energy: -46.041 tors. eta vs tors. theta energy: -121.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1267.388593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.388593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.388593 (E_RNA) where: Base-Base interactions energy: -886.172 where: short stacking energy: -386.607 Base-Backbone interact. energy: 1.887 local terms energy: -383.102973 where: bonds (distance) C4'-P energy: -62.214 bonds (distance) P-C4' energy: -72.791 flat angles C4'-P-C4' energy: -75.795 flat angles P-C4'-P energy: -60.010 tors. eta vs tors. theta energy: -112.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1047.518238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.518238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.518238 (E_RNA) where: Base-Base interactions energy: -705.381 where: short stacking energy: -324.130 Base-Backbone interact. energy: -0.501 local terms energy: -341.636272 where: bonds (distance) C4'-P energy: -58.683 bonds (distance) P-C4' energy: -66.399 flat angles C4'-P-C4' energy: -74.856 flat angles P-C4'-P energy: -54.374 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: 7, replica: 7 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -857.546007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.546007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.546007 (E_RNA) where: Base-Base interactions energy: -527.727 where: short stacking energy: -234.211 Base-Backbone interact. energy: -1.142 local terms energy: -328.676994 where: bonds (distance) C4'-P energy: -58.047 bonds (distance) P-C4' energy: -81.013 flat angles C4'-P-C4' energy: -74.913 flat angles P-C4'-P energy: -51.822 tors. eta vs tors. theta energy: -62.883 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: 1 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -503.409443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.409443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.409443 (E_RNA) where: Base-Base interactions energy: -259.666 where: short stacking energy: -136.057 Base-Backbone interact. energy: -2.826 local terms energy: -240.916752 where: bonds (distance) C4'-P energy: -67.365 bonds (distance) P-C4' energy: -73.521 flat angles C4'-P-C4' energy: -62.688 flat angles P-C4'-P energy: -34.797 tors. eta vs tors. theta energy: -2.545 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: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -543.954355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.954355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.954355 (E_RNA) where: Base-Base interactions energy: -299.108 where: short stacking energy: -143.270 Base-Backbone interact. energy: -0.690 local terms energy: -244.157241 where: bonds (distance) C4'-P energy: -58.530 bonds (distance) P-C4' energy: -58.597 flat angles C4'-P-C4' energy: -64.460 flat angles P-C4'-P energy: -48.793 tors. eta vs tors. theta energy: -13.777 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: 8 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -344.947686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.947686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.947686 (E_RNA) where: Base-Base interactions energy: -122.734 where: short stacking energy: -90.381 Base-Backbone interact. energy: 0.726 local terms energy: -222.939167 where: bonds (distance) C4'-P energy: -68.299 bonds (distance) P-C4' energy: -72.549 flat angles C4'-P-C4' energy: -48.126 flat angles P-C4'-P energy: -29.027 tors. eta vs tors. theta energy: -4.938 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: 10 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1425.710022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.710022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.710022 (E_RNA) where: Base-Base interactions energy: -970.882 where: short stacking energy: -436.536 Base-Backbone interact. energy: -1.372 local terms energy: -453.455807 where: bonds (distance) C4'-P energy: -90.875 bonds (distance) P-C4' energy: -83.932 flat angles C4'-P-C4' energy: -89.225 flat angles P-C4'-P energy: -55.223 tors. eta vs tors. theta energy: -134.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1370.956966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.956966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.956966 (E_RNA) where: Base-Base interactions energy: -959.371 where: short stacking energy: -401.497 Base-Backbone interact. energy: 1.092 local terms energy: -412.677801 where: bonds (distance) C4'-P energy: -78.875 bonds (distance) P-C4' energy: -77.651 flat angles C4'-P-C4' energy: -84.624 flat angles P-C4'-P energy: -50.911 tors. eta vs tors. theta energy: -120.617 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: 4 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1350.130774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.130774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.130774 (E_RNA) where: Base-Base interactions energy: -933.225 where: short stacking energy: -412.516 Base-Backbone interact. energy: -0.563 local terms energy: -416.342682 where: bonds (distance) C4'-P energy: -67.425 bonds (distance) P-C4' energy: -79.244 flat angles C4'-P-C4' energy: -85.489 flat angles P-C4'-P energy: -64.948 tors. eta vs tors. theta energy: -119.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1213.977998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.977998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.977998 (E_RNA) where: Base-Base interactions energy: -816.090 where: short stacking energy: -382.146 Base-Backbone interact. energy: -1.128 local terms energy: -396.760036 where: bonds (distance) C4'-P energy: -71.649 bonds (distance) P-C4' energy: -65.994 flat angles C4'-P-C4' energy: -80.510 flat angles P-C4'-P energy: -54.276 tors. eta vs tors. theta energy: -124.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1250.322132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.322132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.322132 (E_RNA) where: Base-Base interactions energy: -859.033 where: short stacking energy: -355.075 Base-Backbone interact. energy: -2.393 local terms energy: -388.896022 where: bonds (distance) C4'-P energy: -68.902 bonds (distance) P-C4' energy: -77.008 flat angles C4'-P-C4' energy: -84.812 flat angles P-C4'-P energy: -53.653 tors. eta vs tors. theta energy: -104.521 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: 9 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1042.010885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.010885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.010885 (E_RNA) where: Base-Base interactions energy: -693.377 where: short stacking energy: -301.686 Base-Backbone interact. energy: -1.160 local terms energy: -347.474043 where: bonds (distance) C4'-P energy: -50.497 bonds (distance) P-C4' energy: -71.717 flat angles C4'-P-C4' energy: -83.409 flat angles P-C4'-P energy: -50.663 tors. eta vs tors. theta energy: -91.188 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: 7 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -884.555298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.555298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.555298 (E_RNA) where: Base-Base interactions energy: -585.984 where: short stacking energy: -275.662 Base-Backbone interact. energy: -1.477 local terms energy: -297.094589 where: bonds (distance) C4'-P energy: -58.284 bonds (distance) P-C4' energy: -73.547 flat angles C4'-P-C4' energy: -67.250 flat angles P-C4'-P energy: -27.629 tors. eta vs tors. theta energy: -70.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -531.697962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.697962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.697962 (E_RNA) where: Base-Base interactions energy: -273.966 where: short stacking energy: -156.531 Base-Backbone interact. energy: -2.625 local terms energy: -255.106933 where: bonds (distance) C4'-P energy: -62.399 bonds (distance) P-C4' energy: -75.737 flat angles C4'-P-C4' energy: -68.100 flat angles P-C4'-P energy: -43.422 tors. eta vs tors. theta energy: -5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -534.789268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.789268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.789268 (E_RNA) where: Base-Base interactions energy: -268.635 where: short stacking energy: -135.721 Base-Backbone interact. energy: -1.651 local terms energy: -264.503693 where: bonds (distance) C4'-P energy: -70.606 bonds (distance) P-C4' energy: -71.788 flat angles C4'-P-C4' energy: -63.275 flat angles P-C4'-P energy: -41.191 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: 10, replica: 8 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -337.390466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.390466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.390466 (E_RNA) where: Base-Base interactions energy: -130.007 where: short stacking energy: -92.680 Base-Backbone interact. energy: 7.397 local terms energy: -214.780162 where: bonds (distance) C4'-P energy: -57.542 bonds (distance) P-C4' energy: -72.818 flat angles C4'-P-C4' energy: -53.002 flat angles P-C4'-P energy: -35.828 tors. eta vs tors. theta energy: 4.411 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: 1, replica: 10 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1424.162789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.162789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.162789 (E_RNA) where: Base-Base interactions energy: -986.080 where: short stacking energy: -439.123 Base-Backbone interact. energy: -1.234 local terms energy: -436.848781 where: bonds (distance) C4'-P energy: -73.729 bonds (distance) P-C4' energy: -75.791 flat angles C4'-P-C4' energy: -94.083 flat angles P-C4'-P energy: -56.796 tors. eta vs tors. theta energy: -136.450 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: 6 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1358.045205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.045205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.045205 (E_RNA) where: Base-Base interactions energy: -933.051 where: short stacking energy: -390.564 Base-Backbone interact. energy: -3.270 local terms energy: -421.723767 where: bonds (distance) C4'-P energy: -84.842 bonds (distance) P-C4' energy: -79.734 flat angles C4'-P-C4' energy: -88.012 flat angles P-C4'-P energy: -56.837 tors. eta vs tors. theta energy: -112.299 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: 3, replica: 4 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1338.490357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.490357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.490357 (E_RNA) where: Base-Base interactions energy: -929.374 where: short stacking energy: -397.207 Base-Backbone interact. energy: -0.807 local terms energy: -408.309880 where: bonds (distance) C4'-P energy: -64.442 bonds (distance) P-C4' energy: -71.362 flat angles C4'-P-C4' energy: -94.034 flat angles P-C4'-P energy: -63.278 tors. eta vs tors. theta energy: -115.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1275.435685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.435685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.435685 (E_RNA) where: Base-Base interactions energy: -880.529 where: short stacking energy: -385.873 Base-Backbone interact. energy: 0.910 local terms energy: -395.816550 where: bonds (distance) C4'-P energy: -76.356 bonds (distance) P-C4' energy: -81.370 flat angles C4'-P-C4' energy: -70.196 flat angles P-C4'-P energy: -53.774 tors. eta vs tors. theta energy: -114.122 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: 461 Temperature: 1.100000 Total energy: -1213.364814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.364814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.364814 (E_RNA) where: Base-Base interactions energy: -837.008 where: short stacking energy: -381.351 Base-Backbone interact. energy: -1.763 local terms energy: -374.593766 where: bonds (distance) C4'-P energy: -60.240 bonds (distance) P-C4' energy: -54.811 flat angles C4'-P-C4' energy: -77.554 flat angles P-C4'-P energy: -61.009 tors. eta vs tors. theta energy: -120.980 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: 6, replica: 9 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1062.289136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.289136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.289136 (E_RNA) where: Base-Base interactions energy: -705.518 where: short stacking energy: -313.896 Base-Backbone interact. energy: -2.365 local terms energy: -354.405605 where: bonds (distance) C4'-P energy: -72.984 bonds (distance) P-C4' energy: -71.649 flat angles C4'-P-C4' energy: -73.658 flat angles P-C4'-P energy: -44.857 tors. eta vs tors. theta energy: -91.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -894.938150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.938150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.938150 (E_RNA) where: Base-Base interactions energy: -560.553 where: short stacking energy: -290.200 Base-Backbone interact. energy: -1.374 local terms energy: -333.010732 where: bonds (distance) C4'-P energy: -67.205 bonds (distance) P-C4' energy: -79.237 flat angles C4'-P-C4' energy: -71.656 flat angles P-C4'-P energy: -43.731 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: 8, replica: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -588.367547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.367547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.367547 (E_RNA) where: Base-Base interactions energy: -331.532 where: short stacking energy: -166.944 Base-Backbone interact. energy: -0.988 local terms energy: -255.847380 where: bonds (distance) C4'-P energy: -63.465 bonds (distance) P-C4' energy: -73.743 flat angles C4'-P-C4' energy: -63.055 flat angles P-C4'-P energy: -32.388 tors. eta vs tors. theta energy: -23.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -539.742202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.742202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.742202 (E_RNA) where: Base-Base interactions energy: -286.110 where: short stacking energy: -170.615 Base-Backbone interact. energy: 0.454 local terms energy: -254.086107 where: bonds (distance) C4'-P energy: -65.619 bonds (distance) P-C4' energy: -71.247 flat angles C4'-P-C4' energy: -57.129 flat angles P-C4'-P energy: -40.194 tors. eta vs tors. theta energy: -19.897 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: 461 Temperature: 1.350000 Total energy: -322.694454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.694454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.694454 (E_RNA) where: Base-Base interactions energy: -105.461 where: short stacking energy: -89.093 Base-Backbone interact. energy: -1.861 local terms energy: -215.372712 where: bonds (distance) C4'-P energy: -78.363 bonds (distance) P-C4' energy: -63.126 flat angles C4'-P-C4' energy: -65.171 flat angles P-C4'-P energy: -23.864 tors. eta vs tors. theta energy: 15.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1426.214716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.214716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.214716 (E_RNA) where: Base-Base interactions energy: -986.209 where: short stacking energy: -447.211 Base-Backbone interact. energy: -1.402 local terms energy: -438.603455 where: bonds (distance) C4'-P energy: -79.162 bonds (distance) P-C4' energy: -83.389 flat angles C4'-P-C4' energy: -90.921 flat angles P-C4'-P energy: -52.011 tors. eta vs tors. theta energy: -133.121 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: 6 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1381.835144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.835144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.835144 (E_RNA) where: Base-Base interactions energy: -955.826 where: short stacking energy: -413.964 Base-Backbone interact. energy: 0.273 local terms energy: -426.282378 where: bonds (distance) C4'-P energy: -66.658 bonds (distance) P-C4' energy: -84.361 flat angles C4'-P-C4' energy: -98.516 flat angles P-C4'-P energy: -55.070 tors. eta vs tors. theta energy: -121.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1336.154486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.154486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.154486 (E_RNA) where: Base-Base interactions energy: -918.612 where: short stacking energy: -390.220 Base-Backbone interact. energy: -2.393 local terms energy: -415.149235 where: bonds (distance) C4'-P energy: -80.679 bonds (distance) P-C4' energy: -78.325 flat angles C4'-P-C4' energy: -79.346 flat angles P-C4'-P energy: -56.588 tors. eta vs tors. theta energy: -120.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1275.477628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.477628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.477628 (E_RNA) where: Base-Base interactions energy: -885.025 where: short stacking energy: -404.375 Base-Backbone interact. energy: -2.198 local terms energy: -388.253981 where: bonds (distance) C4'-P energy: -66.477 bonds (distance) P-C4' energy: -76.133 flat angles C4'-P-C4' energy: -79.952 flat angles P-C4'-P energy: -58.448 tors. eta vs tors. theta energy: -107.243 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: 2 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1255.044172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.044172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.044172 (E_RNA) where: Base-Base interactions energy: -855.520 where: short stacking energy: -394.029 Base-Backbone interact. energy: -1.123 local terms energy: -398.401979 where: bonds (distance) C4'-P energy: -66.353 bonds (distance) P-C4' energy: -73.284 flat angles C4'-P-C4' energy: -87.844 flat angles P-C4'-P energy: -47.507 tors. eta vs tors. theta energy: -123.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1080.607187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.607187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.607187 (E_RNA) where: Base-Base interactions energy: -709.151 where: short stacking energy: -330.119 Base-Backbone interact. energy: 0.026 local terms energy: -371.482067 where: bonds (distance) C4'-P energy: -75.764 bonds (distance) P-C4' energy: -76.955 flat angles C4'-P-C4' energy: -84.775 flat angles P-C4'-P energy: -43.058 tors. eta vs tors. theta energy: -90.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -899.190054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.190054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.190054 (E_RNA) where: Base-Base interactions energy: -584.533 where: short stacking energy: -269.892 Base-Backbone interact. energy: 0.774 local terms energy: -315.430727 where: bonds (distance) C4'-P energy: -61.574 bonds (distance) P-C4' energy: -73.457 flat angles C4'-P-C4' energy: -68.332 flat angles P-C4'-P energy: -44.791 tors. eta vs tors. theta energy: -67.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -616.272060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.272060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.272060 (E_RNA) where: Base-Base interactions energy: -359.503 where: short stacking energy: -181.736 Base-Backbone interact. energy: 0.159 local terms energy: -256.928353 where: bonds (distance) C4'-P energy: -70.338 bonds (distance) P-C4' energy: -60.279 flat angles C4'-P-C4' energy: -65.007 flat angles P-C4'-P energy: -40.672 tors. eta vs tors. theta energy: -20.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -566.656216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.656216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.656216 (E_RNA) where: Base-Base interactions energy: -318.003 where: short stacking energy: -166.293 Base-Backbone interact. energy: -0.775 local terms energy: -247.877991 where: bonds (distance) C4'-P energy: -61.496 bonds (distance) P-C4' energy: -85.107 flat angles C4'-P-C4' energy: -53.513 flat angles P-C4'-P energy: -31.722 tors. eta vs tors. theta energy: -16.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -321.850384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.850384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.850384 (E_RNA) where: Base-Base interactions energy: -112.032 where: short stacking energy: -93.850 Base-Backbone interact. energy: 8.496 local terms energy: -218.314500 where: bonds (distance) C4'-P energy: -79.083 bonds (distance) P-C4' energy: -56.477 flat angles C4'-P-C4' energy: -48.344 flat angles P-C4'-P energy: -38.454 tors. eta vs tors. theta energy: 4.043 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: 10 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1423.968229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.968229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.968229 (E_RNA) where: Base-Base interactions energy: -986.050 where: short stacking energy: -432.694 Base-Backbone interact. energy: -0.990 local terms energy: -436.928203 where: bonds (distance) C4'-P energy: -78.351 bonds (distance) P-C4' energy: -78.482 flat angles C4'-P-C4' energy: -88.578 flat angles P-C4'-P energy: -58.449 tors. eta vs tors. theta energy: -133.067 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: 6 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1375.455965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.455965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.455965 (E_RNA) where: Base-Base interactions energy: -928.938 where: short stacking energy: -389.168 Base-Backbone interact. energy: 0.853 local terms energy: -447.370995 where: bonds (distance) C4'-P energy: -79.578 bonds (distance) P-C4' energy: -84.009 flat angles C4'-P-C4' energy: -92.454 flat angles P-C4'-P energy: -71.891 tors. eta vs tors. theta energy: -119.438 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: 4 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1329.385551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.385551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.385551 (E_RNA) where: Base-Base interactions energy: -908.058 where: short stacking energy: -377.097 Base-Backbone interact. energy: 0.197 local terms energy: -421.524962 where: bonds (distance) C4'-P energy: -65.814 bonds (distance) P-C4' energy: -79.988 flat angles C4'-P-C4' energy: -96.883 flat angles P-C4'-P energy: -64.437 tors. eta vs tors. theta energy: -114.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1288.463474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.463474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.463474 (E_RNA) where: Base-Base interactions energy: -900.781 where: short stacking energy: -388.199 Base-Backbone interact. energy: -1.852 local terms energy: -385.830718 where: bonds (distance) C4'-P energy: -74.564 bonds (distance) P-C4' energy: -72.250 flat angles C4'-P-C4' energy: -82.522 flat angles P-C4'-P energy: -55.198 tors. eta vs tors. theta energy: -101.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1187.616228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.616228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.616228 (E_RNA) where: Base-Base interactions energy: -806.924 where: short stacking energy: -369.081 Base-Backbone interact. energy: -1.925 local terms energy: -378.767504 where: bonds (distance) C4'-P energy: -67.399 bonds (distance) P-C4' energy: -72.405 flat angles C4'-P-C4' energy: -76.920 flat angles P-C4'-P energy: -50.170 tors. eta vs tors. theta energy: -111.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1040.106233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.106233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.106233 (E_RNA) where: Base-Base interactions energy: -696.113 where: short stacking energy: -314.822 Base-Backbone interact. energy: -0.654 local terms energy: -343.338541 where: bonds (distance) C4'-P energy: -66.273 bonds (distance) P-C4' energy: -55.339 flat angles C4'-P-C4' energy: -81.133 flat angles P-C4'-P energy: -53.259 tors. eta vs tors. theta energy: -87.335 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: 7 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -875.800724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.800724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.800724 (E_RNA) where: Base-Base interactions energy: -568.509 where: short stacking energy: -249.498 Base-Backbone interact. energy: 1.056 local terms energy: -308.347917 where: bonds (distance) C4'-P energy: -64.566 bonds (distance) P-C4' energy: -58.269 flat angles C4'-P-C4' energy: -80.524 flat angles P-C4'-P energy: -41.981 tors. eta vs tors. theta energy: -63.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -611.008869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.008869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.008869 (E_RNA) where: Base-Base interactions energy: -351.817 where: short stacking energy: -168.641 Base-Backbone interact. energy: 0.877 local terms energy: -260.069215 where: bonds (distance) C4'-P energy: -72.333 bonds (distance) P-C4' energy: -61.609 flat angles C4'-P-C4' energy: -56.150 flat angles P-C4'-P energy: -42.837 tors. eta vs tors. theta energy: -27.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -585.346625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.346625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.346625 (E_RNA) where: Base-Base interactions energy: -365.073 where: short stacking energy: -168.532 Base-Backbone interact. energy: -1.181 local terms energy: -219.092263 where: bonds (distance) C4'-P energy: -57.274 bonds (distance) P-C4' energy: -68.095 flat angles C4'-P-C4' energy: -56.642 flat angles P-C4'-P energy: -32.626 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -329.812776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.812776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.812776 (E_RNA) where: Base-Base interactions energy: -139.285 where: short stacking energy: -104.082 Base-Backbone interact. energy: 1.354 local terms energy: -191.881356 where: bonds (distance) C4'-P energy: -56.835 bonds (distance) P-C4' energy: -57.593 flat angles C4'-P-C4' energy: -50.670 flat angles P-C4'-P energy: -31.406 tors. eta vs tors. theta energy: 4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1406.657563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.657563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.657563 (E_RNA) where: Base-Base interactions energy: -976.560 where: short stacking energy: -429.113 Base-Backbone interact. energy: -0.775 local terms energy: -429.322640 where: bonds (distance) C4'-P energy: -76.796 bonds (distance) P-C4' energy: -74.471 flat angles C4'-P-C4' energy: -88.109 flat angles P-C4'-P energy: -61.345 tors. eta vs tors. theta energy: -128.602 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: 10 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1429.737200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.737200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.737200 (E_RNA) where: Base-Base interactions energy: -984.973 where: short stacking energy: -448.133 Base-Backbone interact. energy: -1.324 local terms energy: -443.441063 where: bonds (distance) C4'-P energy: -73.970 bonds (distance) P-C4' energy: -82.243 flat angles C4'-P-C4' energy: -96.452 flat angles P-C4'-P energy: -51.245 tors. eta vs tors. theta energy: -139.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1334.816155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.816155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.816155 (E_RNA) where: Base-Base interactions energy: -922.601 where: short stacking energy: -375.754 Base-Backbone interact. energy: 0.363 local terms energy: -412.578030 where: bonds (distance) C4'-P energy: -73.389 bonds (distance) P-C4' energy: -78.960 flat angles C4'-P-C4' energy: -81.067 flat angles P-C4'-P energy: -61.228 tors. eta vs tors. theta energy: -117.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1249.742353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.742353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.742353 (E_RNA) where: Base-Base interactions energy: -865.505 where: short stacking energy: -372.236 Base-Backbone interact. energy: -0.585 local terms energy: -383.652098 where: bonds (distance) C4'-P energy: -74.380 bonds (distance) P-C4' energy: -78.344 flat angles C4'-P-C4' energy: -78.214 flat angles P-C4'-P energy: -45.938 tors. eta vs tors. theta energy: -106.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1181.392414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.392414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.392414 (E_RNA) where: Base-Base interactions energy: -776.813 where: short stacking energy: -353.202 Base-Backbone interact. energy: -1.129 local terms energy: -403.451185 where: bonds (distance) C4'-P energy: -63.928 bonds (distance) P-C4' energy: -79.867 flat angles C4'-P-C4' energy: -87.915 flat angles P-C4'-P energy: -53.831 tors. eta vs tors. theta energy: -117.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1033.108511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.108511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.108511 (E_RNA) where: Base-Base interactions energy: -668.697 where: short stacking energy: -294.068 Base-Backbone interact. energy: -1.668 local terms energy: -362.742977 where: bonds (distance) C4'-P energy: -73.973 bonds (distance) P-C4' energy: -78.259 flat angles C4'-P-C4' energy: -77.898 flat angles P-C4'-P energy: -50.981 tors. eta vs tors. theta energy: -81.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -798.670781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.670781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.670781 (E_RNA) where: Base-Base interactions energy: -506.311 where: short stacking energy: -246.842 Base-Backbone interact. energy: -0.663 local terms energy: -291.696797 where: bonds (distance) C4'-P energy: -58.017 bonds (distance) P-C4' energy: -60.967 flat angles C4'-P-C4' energy: -72.185 flat angles P-C4'-P energy: -46.573 tors. eta vs tors. theta energy: -53.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -615.389849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.389849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.389849 (E_RNA) where: Base-Base interactions energy: -357.626 where: short stacking energy: -167.559 Base-Backbone interact. energy: 1.239 local terms energy: -259.002696 where: bonds (distance) C4'-P energy: -66.693 bonds (distance) P-C4' energy: -71.095 flat angles C4'-P-C4' energy: -57.032 flat angles P-C4'-P energy: -43.552 tors. eta vs tors. theta energy: -20.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -570.100615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.100615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.100615 (E_RNA) where: Base-Base interactions energy: -328.410 where: short stacking energy: -168.983 Base-Backbone interact. energy: 2.792 local terms energy: -244.482776 where: bonds (distance) C4'-P energy: -55.307 bonds (distance) P-C4' energy: -66.963 flat angles C4'-P-C4' energy: -62.889 flat angles P-C4'-P energy: -33.403 tors. eta vs tors. theta energy: -25.921 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: 8 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -341.927339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.927339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.927339 (E_RNA) where: Base-Base interactions energy: -138.517 where: short stacking energy: -92.496 Base-Backbone interact. energy: -0.394 local terms energy: -203.016577 where: bonds (distance) C4'-P energy: -45.707 bonds (distance) P-C4' energy: -65.571 flat angles C4'-P-C4' energy: -69.503 flat angles P-C4'-P energy: -29.266 tors. eta vs tors. theta energy: 7.031 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: 6 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1421.861404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.861404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.861404 (E_RNA) where: Base-Base interactions energy: -986.576 where: short stacking energy: -413.573 Base-Backbone interact. energy: -2.155 local terms energy: -433.130499 where: bonds (distance) C4'-P energy: -81.803 bonds (distance) P-C4' energy: -78.818 flat angles C4'-P-C4' energy: -95.533 flat angles P-C4'-P energy: -50.720 tors. eta vs tors. theta energy: -126.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1411.706590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.706590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.706590 (E_RNA) where: Base-Base interactions energy: -971.384 where: short stacking energy: -424.604 Base-Backbone interact. energy: -1.120 local terms energy: -439.202198 where: bonds (distance) C4'-P energy: -80.212 bonds (distance) P-C4' energy: -77.273 flat angles C4'-P-C4' energy: -88.592 flat angles P-C4'-P energy: -60.311 tors. eta vs tors. theta energy: -132.814 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: 4 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1332.708175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.708175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.708175 (E_RNA) where: Base-Base interactions energy: -921.159 where: short stacking energy: -400.218 Base-Backbone interact. energy: -1.116 local terms energy: -410.433384 where: bonds (distance) C4'-P energy: -74.268 bonds (distance) P-C4' energy: -69.429 flat angles C4'-P-C4' energy: -89.362 flat angles P-C4'-P energy: -60.091 tors. eta vs tors. theta energy: -117.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1276.732555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.732555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.732555 (E_RNA) where: Base-Base interactions energy: -885.558 where: short stacking energy: -372.390 Base-Backbone interact. energy: -3.488 local terms energy: -387.686048 where: bonds (distance) C4'-P energy: -76.762 bonds (distance) P-C4' energy: -61.104 flat angles C4'-P-C4' energy: -76.941 flat angles P-C4'-P energy: -62.417 tors. eta vs tors. theta energy: -110.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1197.251541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.251541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.251541 (E_RNA) where: Base-Base interactions energy: -811.623 where: short stacking energy: -381.700 Base-Backbone interact. energy: -0.416 local terms energy: -385.212582 where: bonds (distance) C4'-P energy: -60.943 bonds (distance) P-C4' energy: -67.518 flat angles C4'-P-C4' energy: -83.122 flat angles P-C4'-P energy: -54.491 tors. eta vs tors. theta energy: -119.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1069.634878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.634878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.634878 (E_RNA) where: Base-Base interactions energy: -727.046 where: short stacking energy: -339.372 Base-Backbone interact. energy: 1.441 local terms energy: -344.029486 where: bonds (distance) C4'-P energy: -54.548 bonds (distance) P-C4' energy: -68.488 flat angles C4'-P-C4' energy: -80.893 flat angles P-C4'-P energy: -53.924 tors. eta vs tors. theta energy: -86.177 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: 7 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -853.583756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.583756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.583756 (E_RNA) where: Base-Base interactions energy: -544.894 where: short stacking energy: -256.277 Base-Backbone interact. energy: -1.443 local terms energy: -307.246643 where: bonds (distance) C4'-P energy: -57.324 bonds (distance) P-C4' energy: -71.341 flat angles C4'-P-C4' energy: -69.920 flat angles P-C4'-P energy: -43.369 tors. eta vs tors. theta energy: -65.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -682.714782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.714782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.714782 (E_RNA) where: Base-Base interactions energy: -426.642 where: short stacking energy: -207.091 Base-Backbone interact. energy: -0.333 local terms energy: -255.739760 where: bonds (distance) C4'-P energy: -49.889 bonds (distance) P-C4' energy: -70.866 flat angles C4'-P-C4' energy: -65.102 flat angles P-C4'-P energy: -37.696 tors. eta vs tors. theta energy: -32.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -555.489892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.489892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.489892 (E_RNA) where: Base-Base interactions energy: -304.026 where: short stacking energy: -163.550 Base-Backbone interact. energy: -1.367 local terms energy: -250.096935 where: bonds (distance) C4'-P energy: -62.281 bonds (distance) P-C4' energy: -66.158 flat angles C4'-P-C4' energy: -67.220 flat angles P-C4'-P energy: -37.725 tors. eta vs tors. theta energy: -16.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -336.701904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.701904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.701904 (E_RNA) where: Base-Base interactions energy: -124.629 where: short stacking energy: -109.603 Base-Backbone interact. energy: -0.746 local terms energy: -211.326847 where: bonds (distance) C4'-P energy: -53.516 bonds (distance) P-C4' energy: -72.271 flat angles C4'-P-C4' energy: -58.330 flat angles P-C4'-P energy: -33.511 tors. eta vs tors. theta energy: 6.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1428.002122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.002122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.002122 (E_RNA) where: Base-Base interactions energy: -997.894 where: short stacking energy: -441.179 Base-Backbone interact. energy: -1.353 local terms energy: -428.755296 where: bonds (distance) C4'-P energy: -67.528 bonds (distance) P-C4' energy: -82.971 flat angles C4'-P-C4' energy: -87.378 flat angles P-C4'-P energy: -60.547 tors. eta vs tors. theta energy: -130.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1397.841390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.841390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.841390 (E_RNA) where: Base-Base interactions energy: -965.484 where: short stacking energy: -416.479 Base-Backbone interact. energy: -0.565 local terms energy: -431.791872 where: bonds (distance) C4'-P energy: -76.499 bonds (distance) P-C4' energy: -81.372 flat angles C4'-P-C4' energy: -93.137 flat angles P-C4'-P energy: -53.544 tors. eta vs tors. theta energy: -127.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1319.279270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.279270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.279270 (E_RNA) where: Base-Base interactions energy: -896.680 where: short stacking energy: -386.162 Base-Backbone interact. energy: -1.169 local terms energy: -421.429739 where: bonds (distance) C4'-P energy: -72.139 bonds (distance) P-C4' energy: -76.813 flat angles C4'-P-C4' energy: -91.822 flat angles P-C4'-P energy: -61.841 tors. eta vs tors. theta energy: -118.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1278.457363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.457363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.457363 (E_RNA) where: Base-Base interactions energy: -893.257 where: short stacking energy: -386.343 Base-Backbone interact. energy: -1.615 local terms energy: -383.586108 where: bonds (distance) C4'-P energy: -68.044 bonds (distance) P-C4' energy: -62.453 flat angles C4'-P-C4' energy: -79.176 flat angles P-C4'-P energy: -61.055 tors. eta vs tors. theta energy: -112.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1199.765273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.765273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.765273 (E_RNA) where: Base-Base interactions energy: -790.801 where: short stacking energy: -375.359 Base-Backbone interact. energy: -2.131 local terms energy: -406.833744 where: bonds (distance) C4'-P energy: -67.729 bonds (distance) P-C4' energy: -83.759 flat angles C4'-P-C4' energy: -84.972 flat angles P-C4'-P energy: -57.979 tors. eta vs tors. theta energy: -112.395 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: 9 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1048.315505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.315505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.315505 (E_RNA) where: Base-Base interactions energy: -702.046 where: short stacking energy: -321.587 Base-Backbone interact. energy: -1.427 local terms energy: -344.842165 where: bonds (distance) C4'-P energy: -76.859 bonds (distance) P-C4' energy: -59.043 flat angles C4'-P-C4' energy: -81.583 flat angles P-C4'-P energy: -50.787 tors. eta vs tors. theta energy: -76.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -879.245305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.245305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.245305 (E_RNA) where: Base-Base interactions energy: -582.307 where: short stacking energy: -264.950 Base-Backbone interact. energy: -1.878 local terms energy: -295.059852 where: bonds (distance) C4'-P energy: -61.486 bonds (distance) P-C4' energy: -54.701 flat angles C4'-P-C4' energy: -67.468 flat angles P-C4'-P energy: -46.007 tors. eta vs tors. theta energy: -65.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -663.169958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.169958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.169958 (E_RNA) where: Base-Base interactions energy: -391.341 where: short stacking energy: -191.485 Base-Backbone interact. energy: -0.180 local terms energy: -271.649159 where: bonds (distance) C4'-P energy: -68.396 bonds (distance) P-C4' energy: -71.305 flat angles C4'-P-C4' energy: -60.418 flat angles P-C4'-P energy: -41.750 tors. eta vs tors. theta energy: -29.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -610.930876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.930876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.930876 (E_RNA) where: Base-Base interactions energy: -341.566 where: short stacking energy: -172.425 Base-Backbone interact. energy: 3.355 local terms energy: -272.719964 where: bonds (distance) C4'-P energy: -73.456 bonds (distance) P-C4' energy: -69.254 flat angles C4'-P-C4' energy: -70.049 flat angles P-C4'-P energy: -37.508 tors. eta vs tors. theta energy: -22.452 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: 10, replica: 8 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -347.133547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.133547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.133547 (E_RNA) where: Base-Base interactions energy: -136.856 where: short stacking energy: -102.922 Base-Backbone interact. energy: -1.090 local terms energy: -209.187496 where: bonds (distance) C4'-P energy: -77.606 bonds (distance) P-C4' energy: -66.358 flat angles C4'-P-C4' energy: -60.122 flat angles P-C4'-P energy: -14.608 tors. eta vs tors. theta energy: 9.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1453.854678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.854678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.854678 (E_RNA) where: Base-Base interactions energy: -1023.725 where: short stacking energy: -454.493 Base-Backbone interact. energy: -1.020 local terms energy: -429.109449 where: bonds (distance) C4'-P energy: -65.131 bonds (distance) P-C4' energy: -69.626 flat angles C4'-P-C4' energy: -86.663 flat angles P-C4'-P energy: -68.009 tors. eta vs tors. theta energy: -139.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1399.336279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.336279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.336279 (E_RNA) where: Base-Base interactions energy: -969.896 where: short stacking energy: -414.639 Base-Backbone interact. energy: -0.436 local terms energy: -429.004230 where: bonds (distance) C4'-P energy: -73.212 bonds (distance) P-C4' energy: -89.821 flat angles C4'-P-C4' energy: -93.812 flat angles P-C4'-P energy: -51.092 tors. eta vs tors. theta energy: -121.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1322.074605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.074605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.074605 (E_RNA) where: Base-Base interactions energy: -899.072 where: short stacking energy: -394.015 Base-Backbone interact. energy: -1.305 local terms energy: -421.698125 where: bonds (distance) C4'-P energy: -77.155 bonds (distance) P-C4' energy: -79.723 flat angles C4'-P-C4' energy: -81.310 flat angles P-C4'-P energy: -62.998 tors. eta vs tors. theta energy: -120.511 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: 467 Temperature: 1.050000 Total energy: -1269.039182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.039182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.039182 (E_RNA) where: Base-Base interactions energy: -873.723 where: short stacking energy: -384.294 Base-Backbone interact. energy: -1.679 local terms energy: -393.636662 where: bonds (distance) C4'-P energy: -73.034 bonds (distance) P-C4' energy: -68.774 flat angles C4'-P-C4' energy: -80.114 flat angles P-C4'-P energy: -61.035 tors. eta vs tors. theta energy: -110.680 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: 5, replica: 2 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1175.513370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.513370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.513370 (E_RNA) where: Base-Base interactions energy: -800.245 where: short stacking energy: -349.094 Base-Backbone interact. energy: 0.122 local terms energy: -375.390968 where: bonds (distance) C4'-P energy: -74.849 bonds (distance) P-C4' energy: -68.433 flat angles C4'-P-C4' energy: -80.878 flat angles P-C4'-P energy: -51.403 tors. eta vs tors. theta energy: -99.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1040.629209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.629209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.629209 (E_RNA) where: Base-Base interactions energy: -688.384 where: short stacking energy: -297.630 Base-Backbone interact. energy: -1.334 local terms energy: -350.910620 where: bonds (distance) C4'-P energy: -75.332 bonds (distance) P-C4' energy: -77.133 flat angles C4'-P-C4' energy: -81.463 flat angles P-C4'-P energy: -44.839 tors. eta vs tors. theta energy: -72.143 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: 7 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -825.581900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.581900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.581900 (E_RNA) where: Base-Base interactions energy: -512.845 where: short stacking energy: -254.679 Base-Backbone interact. energy: -1.188 local terms energy: -311.549027 where: bonds (distance) C4'-P energy: -62.068 bonds (distance) P-C4' energy: -75.388 flat angles C4'-P-C4' energy: -62.747 flat angles P-C4'-P energy: -50.325 tors. eta vs tors. theta energy: -61.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -701.508965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.508965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.508965 (E_RNA) where: Base-Base interactions energy: -444.048 where: short stacking energy: -197.789 Base-Backbone interact. energy: -1.800 local terms energy: -255.660875 where: bonds (distance) C4'-P energy: -53.166 bonds (distance) P-C4' energy: -63.250 flat angles C4'-P-C4' energy: -65.282 flat angles P-C4'-P energy: -40.554 tors. eta vs tors. theta energy: -33.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -580.609069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.609069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.609069 (E_RNA) where: Base-Base interactions energy: -342.103 where: short stacking energy: -182.225 Base-Backbone interact. energy: -2.229 local terms energy: -236.276658 where: bonds (distance) C4'-P energy: -67.975 bonds (distance) P-C4' energy: -55.158 flat angles C4'-P-C4' energy: -57.318 flat angles P-C4'-P energy: -27.227 tors. eta vs tors. theta energy: -28.599 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: 8 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -324.404778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.404778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.404778 (E_RNA) where: Base-Base interactions energy: -127.363 where: short stacking energy: -82.680 Base-Backbone interact. energy: 0.057 local terms energy: -197.098538 where: bonds (distance) C4'-P energy: -67.175 bonds (distance) P-C4' energy: -77.473 flat angles C4'-P-C4' energy: -48.890 flat angles P-C4'-P energy: -23.648 tors. eta vs tors. theta energy: 20.087 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: 10 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1447.678059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.678059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.678059 (E_RNA) where: Base-Base interactions energy: -1005.965 where: short stacking energy: -423.192 Base-Backbone interact. energy: -0.530 local terms energy: -441.183630 where: bonds (distance) C4'-P energy: -81.134 bonds (distance) P-C4' energy: -76.598 flat angles C4'-P-C4' energy: -92.802 flat angles P-C4'-P energy: -61.906 tors. eta vs tors. theta energy: -128.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1406.568920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.568920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.568920 (E_RNA) where: Base-Base interactions energy: -990.208 where: short stacking energy: -422.008 Base-Backbone interact. energy: -2.059 local terms energy: -414.302195 where: bonds (distance) C4'-P energy: -74.489 bonds (distance) P-C4' energy: -69.883 flat angles C4'-P-C4' energy: -81.780 flat angles P-C4'-P energy: -61.651 tors. eta vs tors. theta energy: -126.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1320.983982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.983982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.983982 (E_RNA) where: Base-Base interactions energy: -915.032 where: short stacking energy: -386.944 Base-Backbone interact. energy: -0.669 local terms energy: -405.282929 where: bonds (distance) C4'-P energy: -71.268 bonds (distance) P-C4' energy: -78.340 flat angles C4'-P-C4' energy: -87.233 flat angles P-C4'-P energy: -48.687 tors. eta vs tors. theta energy: -119.755 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: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1232.840193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.840193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.840193 (E_RNA) where: Base-Base interactions energy: -849.634 where: short stacking energy: -365.087 Base-Backbone interact. energy: -4.533 local terms energy: -378.673156 where: bonds (distance) C4'-P energy: -65.079 bonds (distance) P-C4' energy: -76.527 flat angles C4'-P-C4' energy: -85.922 flat angles P-C4'-P energy: -50.134 tors. eta vs tors. theta energy: -101.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1223.683351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.683351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.683351 (E_RNA) where: Base-Base interactions energy: -831.873 where: short stacking energy: -377.993 Base-Backbone interact. energy: -2.185 local terms energy: -389.624736 where: bonds (distance) C4'-P energy: -62.757 bonds (distance) P-C4' energy: -72.014 flat angles C4'-P-C4' energy: -80.213 flat angles P-C4'-P energy: -55.154 tors. eta vs tors. theta energy: -119.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1047.733266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.733266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.733266 (E_RNA) where: Base-Base interactions energy: -715.376 where: short stacking energy: -310.608 Base-Backbone interact. energy: 0.333 local terms energy: -332.690810 where: bonds (distance) C4'-P energy: -63.620 bonds (distance) P-C4' energy: -65.994 flat angles C4'-P-C4' energy: -70.776 flat angles P-C4'-P energy: -45.055 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: 7, replica: 7 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -801.109031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.109031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.109031 (E_RNA) where: Base-Base interactions energy: -494.035 where: short stacking energy: -234.000 Base-Backbone interact. energy: -1.166 local terms energy: -305.908464 where: bonds (distance) C4'-P energy: -58.262 bonds (distance) P-C4' energy: -76.039 flat angles C4'-P-C4' energy: -69.152 flat angles P-C4'-P energy: -45.134 tors. eta vs tors. theta energy: -57.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -688.647986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.647986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.647986 (E_RNA) where: Base-Base interactions energy: -421.695 where: short stacking energy: -199.845 Base-Backbone interact. energy: -1.360 local terms energy: -265.593680 where: bonds (distance) C4'-P energy: -59.034 bonds (distance) P-C4' energy: -60.748 flat angles C4'-P-C4' energy: -69.128 flat angles P-C4'-P energy: -40.953 tors. eta vs tors. theta energy: -35.732 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: 1 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -573.942317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.942317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.942317 (E_RNA) where: Base-Base interactions energy: -314.346 where: short stacking energy: -169.944 Base-Backbone interact. energy: 1.407 local terms energy: -261.003669 where: bonds (distance) C4'-P energy: -51.994 bonds (distance) P-C4' energy: -76.807 flat angles C4'-P-C4' energy: -58.050 flat angles P-C4'-P energy: -41.285 tors. eta vs tors. theta energy: -32.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -332.646408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.646408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.646408 (E_RNA) where: Base-Base interactions energy: -131.195 where: short stacking energy: -90.402 Base-Backbone interact. energy: -0.290 local terms energy: -201.161444 where: bonds (distance) C4'-P energy: -65.171 bonds (distance) P-C4' energy: -73.350 flat angles C4'-P-C4' energy: -50.625 flat angles P-C4'-P energy: -21.798 tors. eta vs tors. theta energy: 9.783 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: 10 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1456.102477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.102477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.102477 (E_RNA) where: Base-Base interactions energy: -1023.339 where: short stacking energy: -449.807 Base-Backbone interact. energy: -0.590 local terms energy: -432.174270 where: bonds (distance) C4'-P energy: -79.834 bonds (distance) P-C4' energy: -70.690 flat angles C4'-P-C4' energy: -89.866 flat angles P-C4'-P energy: -60.338 tors. eta vs tors. theta energy: -131.446 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: 6 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1379.409851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.409851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.409851 (E_RNA) where: Base-Base interactions energy: -967.642 where: short stacking energy: -407.926 Base-Backbone interact. energy: -2.199 local terms energy: -409.568298 where: bonds (distance) C4'-P energy: -73.754 bonds (distance) P-C4' energy: -75.841 flat angles C4'-P-C4' energy: -82.194 flat angles P-C4'-P energy: -54.633 tors. eta vs tors. theta energy: -123.146 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: 4 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1339.435968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.435968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.435968 (E_RNA) where: Base-Base interactions energy: -907.572 where: short stacking energy: -387.801 Base-Backbone interact. energy: -1.689 local terms energy: -430.175358 where: bonds (distance) C4'-P energy: -76.019 bonds (distance) P-C4' energy: -77.887 flat angles C4'-P-C4' energy: -95.937 flat angles P-C4'-P energy: -62.871 tors. eta vs tors. theta energy: -117.461 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: 2 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1262.748317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.748317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.748317 (E_RNA) where: Base-Base interactions energy: -833.297 where: short stacking energy: -389.998 Base-Backbone interact. energy: -3.169 local terms energy: -426.281578 where: bonds (distance) C4'-P energy: -75.245 bonds (distance) P-C4' energy: -84.312 flat angles C4'-P-C4' energy: -89.737 flat angles P-C4'-P energy: -56.110 tors. eta vs tors. theta energy: -120.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1197.503014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.503014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.503014 (E_RNA) where: Base-Base interactions energy: -829.521 where: short stacking energy: -352.277 Base-Backbone interact. energy: -2.190 local terms energy: -365.791931 where: bonds (distance) C4'-P energy: -64.673 bonds (distance) P-C4' energy: -69.284 flat angles C4'-P-C4' energy: -76.819 flat angles P-C4'-P energy: -54.797 tors. eta vs tors. theta energy: -100.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1063.429488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.429488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.429488 (E_RNA) where: Base-Base interactions energy: -711.979 where: short stacking energy: -313.042 Base-Backbone interact. energy: -0.758 local terms energy: -350.692143 where: bonds (distance) C4'-P energy: -59.943 bonds (distance) P-C4' energy: -69.826 flat angles C4'-P-C4' energy: -86.638 flat angles P-C4'-P energy: -48.684 tors. eta vs tors. theta energy: -85.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -799.548566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.548566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.548566 (E_RNA) where: Base-Base interactions energy: -492.499 where: short stacking energy: -238.670 Base-Backbone interact. energy: 0.918 local terms energy: -307.967898 where: bonds (distance) C4'-P energy: -79.869 bonds (distance) P-C4' energy: -59.734 flat angles C4'-P-C4' energy: -79.960 flat angles P-C4'-P energy: -40.425 tors. eta vs tors. theta energy: -47.980 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: 5 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -661.408045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.408045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.408045 (E_RNA) where: Base-Base interactions energy: -399.523 where: short stacking energy: -200.414 Base-Backbone interact. energy: 1.044 local terms energy: -262.928732 where: bonds (distance) C4'-P energy: -67.855 bonds (distance) P-C4' energy: -71.846 flat angles C4'-P-C4' energy: -53.544 flat angles P-C4'-P energy: -34.413 tors. eta vs tors. theta energy: -35.270 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: 9, replica: 1 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -583.634678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.634678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.634678 (E_RNA) where: Base-Base interactions energy: -330.700 where: short stacking energy: -165.311 Base-Backbone interact. energy: 4.619 local terms energy: -257.553290 where: bonds (distance) C4'-P energy: -66.480 bonds (distance) P-C4' energy: -60.660 flat angles C4'-P-C4' energy: -74.404 flat angles P-C4'-P energy: -34.373 tors. eta vs tors. theta energy: -21.636 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: 469 Temperature: 1.350000 Total energy: -357.594019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.594019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.594019 (E_RNA) where: Base-Base interactions energy: -150.823 where: short stacking energy: -110.388 Base-Backbone interact. energy: 0.797 local terms energy: -207.568536 where: bonds (distance) C4'-P energy: -69.961 bonds (distance) P-C4' energy: -63.778 flat angles C4'-P-C4' energy: -45.267 flat angles P-C4'-P energy: -34.266 tors. eta vs tors. theta energy: 5.704 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: 10 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1442.191025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.191025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.191025 (E_RNA) where: Base-Base interactions energy: -998.400 where: short stacking energy: -432.879 Base-Backbone interact. energy: 0.856 local terms energy: -444.647161 where: bonds (distance) C4'-P energy: -77.957 bonds (distance) P-C4' energy: -75.461 flat angles C4'-P-C4' energy: -96.797 flat angles P-C4'-P energy: -60.990 tors. eta vs tors. theta energy: -133.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1396.207535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.207535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.207535 (E_RNA) where: Base-Base interactions energy: -987.922 where: short stacking energy: -417.807 Base-Backbone interact. energy: -0.520 local terms energy: -407.765501 where: bonds (distance) C4'-P energy: -60.363 bonds (distance) P-C4' energy: -77.866 flat angles C4'-P-C4' energy: -81.029 flat angles P-C4'-P energy: -65.921 tors. eta vs tors. theta energy: -122.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1343.383760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.383760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.383760 (E_RNA) where: Base-Base interactions energy: -932.107 where: short stacking energy: -390.572 Base-Backbone interact. energy: 2.211 local terms energy: -413.487969 where: bonds (distance) C4'-P energy: -74.514 bonds (distance) P-C4' energy: -80.420 flat angles C4'-P-C4' energy: -85.084 flat angles P-C4'-P energy: -50.685 tors. eta vs tors. theta energy: -122.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1264.253112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.253112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.253112 (E_RNA) where: Base-Base interactions energy: -879.417 where: short stacking energy: -393.099 Base-Backbone interact. energy: -2.341 local terms energy: -382.495101 where: bonds (distance) C4'-P energy: -67.809 bonds (distance) P-C4' energy: -59.344 flat angles C4'-P-C4' energy: -78.481 flat angles P-C4'-P energy: -57.046 tors. eta vs tors. theta energy: -119.815 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: 3 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1209.315644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.315644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.315644 (E_RNA) where: Base-Base interactions energy: -830.219 where: short stacking energy: -367.459 Base-Backbone interact. energy: 0.136 local terms energy: -379.232857 where: bonds (distance) C4'-P energy: -66.126 bonds (distance) P-C4' energy: -64.099 flat angles C4'-P-C4' energy: -89.416 flat angles P-C4'-P energy: -55.575 tors. eta vs tors. theta energy: -104.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1124.036509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.036509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.036509 (E_RNA) where: Base-Base interactions energy: -737.847 where: short stacking energy: -331.534 Base-Backbone interact. energy: -0.709 local terms energy: -385.480694 where: bonds (distance) C4'-P energy: -71.907 bonds (distance) P-C4' energy: -77.857 flat angles C4'-P-C4' energy: -73.752 flat angles P-C4'-P energy: -57.150 tors. eta vs tors. theta energy: -104.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -801.413263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.413263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.413263 (E_RNA) where: Base-Base interactions energy: -490.004 where: short stacking energy: -235.245 Base-Backbone interact. energy: 1.816 local terms energy: -313.225213 where: bonds (distance) C4'-P energy: -70.677 bonds (distance) P-C4' energy: -59.278 flat angles C4'-P-C4' energy: -80.531 flat angles P-C4'-P energy: -47.229 tors. eta vs tors. theta energy: -55.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -629.795190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.795190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.795190 (E_RNA) where: Base-Base interactions energy: -369.444 where: short stacking energy: -193.333 Base-Backbone interact. energy: -1.076 local terms energy: -259.274901 where: bonds (distance) C4'-P energy: -67.760 bonds (distance) P-C4' energy: -66.514 flat angles C4'-P-C4' energy: -61.213 flat angles P-C4'-P energy: -35.666 tors. eta vs tors. theta energy: -28.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -595.742717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.742717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.742717 (E_RNA) where: Base-Base interactions energy: -346.128 where: short stacking energy: -184.170 Base-Backbone interact. energy: 0.653 local terms energy: -250.267479 where: bonds (distance) C4'-P energy: -53.524 bonds (distance) P-C4' energy: -74.314 flat angles C4'-P-C4' energy: -64.716 flat angles P-C4'-P energy: -34.449 tors. eta vs tors. theta energy: -23.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -383.719954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.719954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.719954 (E_RNA) where: Base-Base interactions energy: -166.515 where: short stacking energy: -119.244 Base-Backbone interact. energy: 1.642 local terms energy: -218.847198 where: bonds (distance) C4'-P energy: -54.120 bonds (distance) P-C4' energy: -67.055 flat angles C4'-P-C4' energy: -59.368 flat angles P-C4'-P energy: -41.172 tors. eta vs tors. theta energy: 2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1434.745843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.745843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.745843 (E_RNA) where: Base-Base interactions energy: -994.963 where: short stacking energy: -433.142 Base-Backbone interact. energy: -1.273 local terms energy: -438.509415 where: bonds (distance) C4'-P energy: -81.208 bonds (distance) P-C4' energy: -80.365 flat angles C4'-P-C4' energy: -85.383 flat angles P-C4'-P energy: -61.963 tors. eta vs tors. theta energy: -129.590 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: 2, replica: 6 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1371.476326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.476326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.476326 (E_RNA) where: Base-Base interactions energy: -954.121 where: short stacking energy: -399.488 Base-Backbone interact. energy: 1.645 local terms energy: -419.000427 where: bonds (distance) C4'-P energy: -72.881 bonds (distance) P-C4' energy: -83.651 flat angles C4'-P-C4' energy: -83.116 flat angles P-C4'-P energy: -56.370 tors. eta vs tors. theta energy: -122.983 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: 471 Temperature: 1.000000 Total energy: -1322.278852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.278852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.278852 (E_RNA) where: Base-Base interactions energy: -900.812 where: short stacking energy: -372.944 Base-Backbone interact. energy: -0.453 local terms energy: -421.014593 where: bonds (distance) C4'-P energy: -83.405 bonds (distance) P-C4' energy: -77.203 flat angles C4'-P-C4' energy: -86.937 flat angles P-C4'-P energy: -57.754 tors. eta vs tors. theta energy: -115.715 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: 4, replica: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1252.274465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.274465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.274465 (E_RNA) where: Base-Base interactions energy: -877.323 where: short stacking energy: -382.118 Base-Backbone interact. energy: -4.444 local terms energy: -370.507581 where: bonds (distance) C4'-P energy: -64.527 bonds (distance) P-C4' energy: -75.404 flat angles C4'-P-C4' energy: -80.492 flat angles P-C4'-P energy: -46.707 tors. eta vs tors. theta energy: -103.378 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: 5, replica: 2 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1184.771220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.771220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.771220 (E_RNA) where: Base-Base interactions energy: -816.626 where: short stacking energy: -354.074 Base-Backbone interact. energy: -3.338 local terms energy: -364.806714 where: bonds (distance) C4'-P energy: -55.607 bonds (distance) P-C4' energy: -68.099 flat angles C4'-P-C4' energy: -75.557 flat angles P-C4'-P energy: -56.190 tors. eta vs tors. theta energy: -109.354 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: 9 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1091.436907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.436907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.436907 (E_RNA) where: Base-Base interactions energy: -734.464 where: short stacking energy: -322.209 Base-Backbone interact. energy: -0.822 local terms energy: -356.150403 where: bonds (distance) C4'-P energy: -78.574 bonds (distance) P-C4' energy: -78.298 flat angles C4'-P-C4' energy: -74.368 flat angles P-C4'-P energy: -39.557 tors. eta vs tors. theta energy: -85.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -809.694058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.694058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.694058 (E_RNA) where: Base-Base interactions energy: -526.790 where: short stacking energy: -252.880 Base-Backbone interact. energy: -0.813 local terms energy: -282.091215 where: bonds (distance) C4'-P energy: -59.140 bonds (distance) P-C4' energy: -60.669 flat angles C4'-P-C4' energy: -66.579 flat angles P-C4'-P energy: -46.703 tors. eta vs tors. theta energy: -49.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -710.600403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.600403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.600403 (E_RNA) where: Base-Base interactions energy: -421.202 where: short stacking energy: -200.653 Base-Backbone interact. energy: -0.614 local terms energy: -288.784681 where: bonds (distance) C4'-P energy: -69.336 bonds (distance) P-C4' energy: -61.038 flat angles C4'-P-C4' energy: -72.999 flat angles P-C4'-P energy: -56.098 tors. eta vs tors. theta energy: -29.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -610.660287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.660287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.660287 (E_RNA) where: Base-Base interactions energy: -335.812 where: short stacking energy: -174.836 Base-Backbone interact. energy: 1.629 local terms energy: -276.477037 where: bonds (distance) C4'-P energy: -65.231 bonds (distance) P-C4' energy: -75.493 flat angles C4'-P-C4' energy: -75.622 flat angles P-C4'-P energy: -25.294 tors. eta vs tors. theta energy: -34.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -343.211731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.211731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.211731 (E_RNA) where: Base-Base interactions energy: -131.132 where: short stacking energy: -98.162 Base-Backbone interact. energy: 0.095 local terms energy: -212.174003 where: bonds (distance) C4'-P energy: -58.550 bonds (distance) P-C4' energy: -68.043 flat angles C4'-P-C4' energy: -51.890 flat angles P-C4'-P energy: -47.296 tors. eta vs tors. theta energy: 13.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1437.457498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.457498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.457498 (E_RNA) where: Base-Base interactions energy: -1007.163 where: short stacking energy: -422.430 Base-Backbone interact. energy: 0.944 local terms energy: -431.238114 where: bonds (distance) C4'-P energy: -80.118 bonds (distance) P-C4' energy: -73.560 flat angles C4'-P-C4' energy: -88.275 flat angles P-C4'-P energy: -62.375 tors. eta vs tors. theta energy: -126.910 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: 6 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1392.698258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.698258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.698258 (E_RNA) where: Base-Base interactions energy: -963.658 where: short stacking energy: -407.978 Base-Backbone interact. energy: -2.109 local terms energy: -426.930658 where: bonds (distance) C4'-P energy: -75.554 bonds (distance) P-C4' energy: -76.472 flat angles C4'-P-C4' energy: -89.440 flat angles P-C4'-P energy: -58.547 tors. eta vs tors. theta energy: -126.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1335.338398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.338398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.338398 (E_RNA) where: Base-Base interactions energy: -917.612 where: short stacking energy: -407.201 Base-Backbone interact. energy: -0.053 local terms energy: -417.673748 where: bonds (distance) C4'-P energy: -76.105 bonds (distance) P-C4' energy: -69.928 flat angles C4'-P-C4' energy: -88.380 flat angles P-C4'-P energy: -60.831 tors. eta vs tors. theta energy: -122.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1263.096915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.096915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.096915 (E_RNA) where: Base-Base interactions energy: -872.518 where: short stacking energy: -364.940 Base-Backbone interact. energy: -0.155 local terms energy: -390.423670 where: bonds (distance) C4'-P energy: -77.676 bonds (distance) P-C4' energy: -74.563 flat angles C4'-P-C4' energy: -80.872 flat angles P-C4'-P energy: -48.002 tors. eta vs tors. theta energy: -109.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1187.200691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.200691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.200691 (E_RNA) where: Base-Base interactions energy: -806.549 where: short stacking energy: -358.607 Base-Backbone interact. energy: -0.169 local terms energy: -380.482330 where: bonds (distance) C4'-P energy: -65.335 bonds (distance) P-C4' energy: -76.790 flat angles C4'-P-C4' energy: -70.134 flat angles P-C4'-P energy: -51.206 tors. eta vs tors. theta energy: -117.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1043.284115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.284115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.284115 (E_RNA) where: Base-Base interactions energy: -680.248 where: short stacking energy: -303.832 Base-Backbone interact. energy: -0.470 local terms energy: -362.566537 where: bonds (distance) C4'-P energy: -76.647 bonds (distance) P-C4' energy: -75.352 flat angles C4'-P-C4' energy: -65.414 flat angles P-C4'-P energy: -54.102 tors. eta vs tors. theta energy: -91.051 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: 7 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -893.982095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.982095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.982095 (E_RNA) where: Base-Base interactions energy: -578.608 where: short stacking energy: -253.016 Base-Backbone interact. energy: -2.133 local terms energy: -313.241613 where: bonds (distance) C4'-P energy: -72.716 bonds (distance) P-C4' energy: -62.602 flat angles C4'-P-C4' energy: -63.314 flat angles P-C4'-P energy: -48.114 tors. eta vs tors. theta energy: -66.495 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: 1 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -759.050961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.050961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.050961 (E_RNA) where: Base-Base interactions energy: -481.360 where: short stacking energy: -230.986 Base-Backbone interact. energy: 1.723 local terms energy: -279.414134 where: bonds (distance) C4'-P energy: -56.245 bonds (distance) P-C4' energy: -71.139 flat angles C4'-P-C4' energy: -52.563 flat angles P-C4'-P energy: -41.152 tors. eta vs tors. theta energy: -58.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -649.153364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.153364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.153364 (E_RNA) where: Base-Base interactions energy: -385.611 where: short stacking energy: -180.063 Base-Backbone interact. energy: 6.267 local terms energy: -269.809030 where: bonds (distance) C4'-P energy: -65.878 bonds (distance) P-C4' energy: -71.415 flat angles C4'-P-C4' energy: -64.612 flat angles P-C4'-P energy: -41.600 tors. eta vs tors. theta energy: -26.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -307.471376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.471376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.471376 (E_RNA) where: Base-Base interactions energy: -98.754 where: short stacking energy: -79.857 Base-Backbone interact. energy: 1.488 local terms energy: -210.205497 where: bonds (distance) C4'-P energy: -61.062 bonds (distance) P-C4' energy: -54.600 flat angles C4'-P-C4' energy: -55.212 flat angles P-C4'-P energy: -45.081 tors. eta vs tors. theta energy: 5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1462.416987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.416987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.416987 (E_RNA) where: Base-Base interactions energy: -1008.841 where: short stacking energy: -435.891 Base-Backbone interact. energy: -1.063 local terms energy: -452.513033 where: bonds (distance) C4'-P energy: -79.064 bonds (distance) P-C4' energy: -83.364 flat angles C4'-P-C4' energy: -89.673 flat angles P-C4'-P energy: -67.786 tors. eta vs tors. theta energy: -132.626 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: 6 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1374.242718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.242718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.242718 (E_RNA) where: Base-Base interactions energy: -946.196 where: short stacking energy: -426.644 Base-Backbone interact. energy: -2.529 local terms energy: -425.517064 where: bonds (distance) C4'-P energy: -62.592 bonds (distance) P-C4' energy: -81.788 flat angles C4'-P-C4' energy: -87.752 flat angles P-C4'-P energy: -66.910 tors. eta vs tors. theta energy: -126.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1330.585941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.585941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.585941 (E_RNA) where: Base-Base interactions energy: -919.243 where: short stacking energy: -404.188 Base-Backbone interact. energy: -2.615 local terms energy: -408.727718 where: bonds (distance) C4'-P energy: -67.690 bonds (distance) P-C4' energy: -74.981 flat angles C4'-P-C4' energy: -83.570 flat angles P-C4'-P energy: -57.745 tors. eta vs tors. theta energy: -124.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1271.841084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.841084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.841084 (E_RNA) where: Base-Base interactions energy: -870.378 where: short stacking energy: -378.081 Base-Backbone interact. energy: -2.202 local terms energy: -399.261842 where: bonds (distance) C4'-P energy: -74.742 bonds (distance) P-C4' energy: -72.798 flat angles C4'-P-C4' energy: -78.142 flat angles P-C4'-P energy: -61.938 tors. eta vs tors. theta energy: -111.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1175.707410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.707410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.707410 (E_RNA) where: Base-Base interactions energy: -803.575 where: short stacking energy: -360.815 Base-Backbone interact. energy: -1.245 local terms energy: -370.886837 where: bonds (distance) C4'-P energy: -66.651 bonds (distance) P-C4' energy: -71.969 flat angles C4'-P-C4' energy: -71.332 flat angles P-C4'-P energy: -54.146 tors. eta vs tors. theta energy: -106.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1073.450854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.450854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.450854 (E_RNA) where: Base-Base interactions energy: -728.441 where: short stacking energy: -330.162 Base-Backbone interact. energy: -0.278 local terms energy: -344.732318 where: bonds (distance) C4'-P energy: -68.645 bonds (distance) P-C4' energy: -68.718 flat angles C4'-P-C4' energy: -68.665 flat angles P-C4'-P energy: -52.453 tors. eta vs tors. theta energy: -86.251 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: 7 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -862.210961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.210961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.210961 (E_RNA) where: Base-Base interactions energy: -546.966 where: short stacking energy: -255.485 Base-Backbone interact. energy: 0.758 local terms energy: -316.003316 where: bonds (distance) C4'-P energy: -62.669 bonds (distance) P-C4' energy: -65.161 flat angles C4'-P-C4' energy: -69.350 flat angles P-C4'-P energy: -43.841 tors. eta vs tors. theta energy: -74.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -719.576600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.576600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.576600 (E_RNA) where: Base-Base interactions energy: -435.676 where: short stacking energy: -193.428 Base-Backbone interact. energy: -2.945 local terms energy: -280.955366 where: bonds (distance) C4'-P energy: -66.553 bonds (distance) P-C4' energy: -74.366 flat angles C4'-P-C4' energy: -62.227 flat angles P-C4'-P energy: -43.571 tors. eta vs tors. theta energy: -34.238 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: 5 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -624.889610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.889610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.889610 (E_RNA) where: Base-Base interactions energy: -372.039 where: short stacking energy: -186.579 Base-Backbone interact. energy: 0.799 local terms energy: -253.649920 where: bonds (distance) C4'-P energy: -57.988 bonds (distance) P-C4' energy: -59.503 flat angles C4'-P-C4' energy: -71.295 flat angles P-C4'-P energy: -39.276 tors. eta vs tors. theta energy: -25.588 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: 473 Temperature: 1.350000 Total energy: -319.612446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.612446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.612446 (E_RNA) where: Base-Base interactions energy: -110.457 where: short stacking energy: -88.149 Base-Backbone interact. energy: -0.722 local terms energy: -208.433738 where: bonds (distance) C4'-P energy: -65.998 bonds (distance) P-C4' energy: -64.459 flat angles C4'-P-C4' energy: -53.254 flat angles P-C4'-P energy: -21.325 tors. eta vs tors. theta energy: -3.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1447.884867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.884867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.884867 (E_RNA) where: Base-Base interactions energy: -1010.295 where: short stacking energy: -426.967 Base-Backbone interact. energy: -2.334 local terms energy: -435.255704 where: bonds (distance) C4'-P energy: -71.696 bonds (distance) P-C4' energy: -72.429 flat angles C4'-P-C4' energy: -95.194 flat angles P-C4'-P energy: -64.799 tors. eta vs tors. theta energy: -131.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1363.241023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.241023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.241023 (E_RNA) where: Base-Base interactions energy: -931.477 where: short stacking energy: -406.063 Base-Backbone interact. energy: -0.776 local terms energy: -430.987675 where: bonds (distance) C4'-P energy: -84.251 bonds (distance) P-C4' energy: -82.469 flat angles C4'-P-C4' energy: -86.773 flat angles P-C4'-P energy: -57.975 tors. eta vs tors. theta energy: -119.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1351.336948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.336948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.336948 (E_RNA) where: Base-Base interactions energy: -935.948 where: short stacking energy: -406.287 Base-Backbone interact. energy: -1.225 local terms energy: -414.163930 where: bonds (distance) C4'-P energy: -73.461 bonds (distance) P-C4' energy: -66.863 flat angles C4'-P-C4' energy: -92.581 flat angles P-C4'-P energy: -56.534 tors. eta vs tors. theta energy: -124.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1284.440657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.440657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.440657 (E_RNA) where: Base-Base interactions energy: -891.801 where: short stacking energy: -375.693 Base-Backbone interact. energy: 0.104 local terms energy: -392.743483 where: bonds (distance) C4'-P energy: -78.653 bonds (distance) P-C4' energy: -72.599 flat angles C4'-P-C4' energy: -74.197 flat angles P-C4'-P energy: -57.208 tors. eta vs tors. theta energy: -110.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1208.633098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.633098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.633098 (E_RNA) where: Base-Base interactions energy: -823.247 where: short stacking energy: -367.611 Base-Backbone interact. energy: -0.666 local terms energy: -384.720067 where: bonds (distance) C4'-P energy: -65.153 bonds (distance) P-C4' energy: -64.598 flat angles C4'-P-C4' energy: -85.882 flat angles P-C4'-P energy: -60.782 tors. eta vs tors. theta energy: -108.304 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: 9 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1058.826012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.826012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.826012 (E_RNA) where: Base-Base interactions energy: -698.445 where: short stacking energy: -315.760 Base-Backbone interact. energy: -0.610 local terms energy: -359.771038 where: bonds (distance) C4'-P energy: -71.528 bonds (distance) P-C4' energy: -67.834 flat angles C4'-P-C4' energy: -85.686 flat angles P-C4'-P energy: -41.030 tors. eta vs tors. theta energy: -93.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -900.642532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.642532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.642532 (E_RNA) where: Base-Base interactions energy: -611.005 where: short stacking energy: -267.089 Base-Backbone interact. energy: -0.334 local terms energy: -289.303847 where: bonds (distance) C4'-P energy: -53.382 bonds (distance) P-C4' energy: -41.590 flat angles C4'-P-C4' energy: -77.770 flat angles P-C4'-P energy: -43.554 tors. eta vs tors. theta energy: -73.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -807.269759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.269759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.269759 (E_RNA) where: Base-Base interactions energy: -537.770 where: short stacking energy: -244.936 Base-Backbone interact. energy: -0.033 local terms energy: -269.466791 where: bonds (distance) C4'-P energy: -58.604 bonds (distance) P-C4' energy: -62.688 flat angles C4'-P-C4' energy: -56.635 flat angles P-C4'-P energy: -32.939 tors. eta vs tors. theta energy: -58.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -614.366363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.366363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.366363 (E_RNA) where: Base-Base interactions energy: -347.899 where: short stacking energy: -186.320 Base-Backbone interact. energy: -1.506 local terms energy: -264.961432 where: bonds (distance) C4'-P energy: -70.934 bonds (distance) P-C4' energy: -62.974 flat angles C4'-P-C4' energy: -73.978 flat angles P-C4'-P energy: -34.075 tors. eta vs tors. theta energy: -23.000 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: 474 Temperature: 1.350000 Total energy: -312.696970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.696970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.696970 (E_RNA) where: Base-Base interactions energy: -109.271 where: short stacking energy: -98.783 Base-Backbone interact. energy: 0.189 local terms energy: -203.615329 where: bonds (distance) C4'-P energy: -63.214 bonds (distance) P-C4' energy: -68.372 flat angles C4'-P-C4' energy: -60.966 flat angles P-C4'-P energy: -16.613 tors. eta vs tors. theta energy: 5.550 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: 10 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1454.076622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.076622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.076622 (E_RNA) where: Base-Base interactions energy: -1007.402 where: short stacking energy: -431.865 Base-Backbone interact. energy: -1.137 local terms energy: -445.537519 where: bonds (distance) C4'-P energy: -86.419 bonds (distance) P-C4' energy: -86.368 flat angles C4'-P-C4' energy: -89.598 flat angles P-C4'-P energy: -51.557 tors. eta vs tors. theta energy: -131.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1358.834955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.834955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.834955 (E_RNA) where: Base-Base interactions energy: -954.541 where: short stacking energy: -399.460 Base-Backbone interact. energy: -2.296 local terms energy: -401.997361 where: bonds (distance) C4'-P energy: -56.288 bonds (distance) P-C4' energy: -85.339 flat angles C4'-P-C4' energy: -91.516 flat angles P-C4'-P energy: -56.132 tors. eta vs tors. theta energy: -112.723 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: 4 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1338.806861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.806861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.806861 (E_RNA) where: Base-Base interactions energy: -935.070 where: short stacking energy: -416.944 Base-Backbone interact. energy: -0.361 local terms energy: -403.376300 where: bonds (distance) C4'-P energy: -74.990 bonds (distance) P-C4' energy: -60.938 flat angles C4'-P-C4' energy: -93.195 flat angles P-C4'-P energy: -52.003 tors. eta vs tors. theta energy: -122.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1236.247487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.247487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.247487 (E_RNA) where: Base-Base interactions energy: -826.676 where: short stacking energy: -362.888 Base-Backbone interact. energy: 0.777 local terms energy: -410.349149 where: bonds (distance) C4'-P energy: -74.140 bonds (distance) P-C4' energy: -78.278 flat angles C4'-P-C4' energy: -87.342 flat angles P-C4'-P energy: -54.914 tors. eta vs tors. theta energy: -115.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1247.598801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.598801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.598801 (E_RNA) where: Base-Base interactions energy: -865.694 where: short stacking energy: -376.021 Base-Backbone interact. energy: 0.734 local terms energy: -382.638744 where: bonds (distance) C4'-P energy: -67.423 bonds (distance) P-C4' energy: -66.701 flat angles C4'-P-C4' energy: -84.450 flat angles P-C4'-P energy: -51.268 tors. eta vs tors. theta energy: -112.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1046.503685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.503685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.503685 (E_RNA) where: Base-Base interactions energy: -696.732 where: short stacking energy: -330.646 Base-Backbone interact. energy: -0.624 local terms energy: -349.147738 where: bonds (distance) C4'-P energy: -68.361 bonds (distance) P-C4' energy: -68.828 flat angles C4'-P-C4' energy: -78.480 flat angles P-C4'-P energy: -46.923 tors. eta vs tors. theta energy: -86.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -897.438749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.438749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.438749 (E_RNA) where: Base-Base interactions energy: -587.248 where: short stacking energy: -272.293 Base-Backbone interact. energy: -1.157 local terms energy: -309.033912 where: bonds (distance) C4'-P energy: -63.574 bonds (distance) P-C4' energy: -56.315 flat angles C4'-P-C4' energy: -74.927 flat angles P-C4'-P energy: -42.750 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: 8, replica: 1 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -769.043004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.043004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.043004 (E_RNA) where: Base-Base interactions energy: -481.728 where: short stacking energy: -212.310 Base-Backbone interact. energy: 0.564 local terms energy: -287.879208 where: bonds (distance) C4'-P energy: -64.015 bonds (distance) P-C4' energy: -74.510 flat angles C4'-P-C4' energy: -68.840 flat angles P-C4'-P energy: -43.948 tors. eta vs tors. theta energy: -36.566 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: 5 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -577.860715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.860715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.860715 (E_RNA) where: Base-Base interactions energy: -335.543 where: short stacking energy: -175.588 Base-Backbone interact. energy: -1.576 local terms energy: -240.741807 where: bonds (distance) C4'-P energy: -57.069 bonds (distance) P-C4' energy: -76.974 flat angles C4'-P-C4' energy: -55.245 flat angles P-C4'-P energy: -33.119 tors. eta vs tors. theta energy: -18.336 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: 8 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -356.131272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.131272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.131272 (E_RNA) where: Base-Base interactions energy: -104.921 where: short stacking energy: -73.801 Base-Backbone interact. energy: -0.753 local terms energy: -250.457061 where: bonds (distance) C4'-P energy: -71.963 bonds (distance) P-C4' energy: -69.985 flat angles C4'-P-C4' energy: -65.097 flat angles P-C4'-P energy: -42.076 tors. eta vs tors. theta energy: -1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1441.743724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.743724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.743724 (E_RNA) where: Base-Base interactions energy: -1001.885 where: short stacking energy: -415.972 Base-Backbone interact. energy: -3.730 local terms energy: -436.129099 where: bonds (distance) C4'-P energy: -83.901 bonds (distance) P-C4' energy: -77.613 flat angles C4'-P-C4' energy: -87.430 flat angles P-C4'-P energy: -62.287 tors. eta vs tors. theta energy: -124.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1360.617145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.617145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.617145 (E_RNA) where: Base-Base interactions energy: -952.969 where: short stacking energy: -395.875 Base-Backbone interact. energy: -2.397 local terms energy: -405.251649 where: bonds (distance) C4'-P energy: -73.314 bonds (distance) P-C4' energy: -74.272 flat angles C4'-P-C4' energy: -85.948 flat angles P-C4'-P energy: -54.322 tors. eta vs tors. theta energy: -117.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1335.615187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.615187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.615187 (E_RNA) where: Base-Base interactions energy: -924.283 where: short stacking energy: -397.234 Base-Backbone interact. energy: 0.632 local terms energy: -411.964872 where: bonds (distance) C4'-P energy: -68.778 bonds (distance) P-C4' energy: -75.498 flat angles C4'-P-C4' energy: -86.382 flat angles P-C4'-P energy: -52.451 tors. eta vs tors. theta energy: -128.856 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: 476 Temperature: 1.050000 Total energy: -1257.299843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.299843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.299843 (E_RNA) where: Base-Base interactions energy: -851.172 where: short stacking energy: -381.946 Base-Backbone interact. energy: -0.867 local terms energy: -405.260813 where: bonds (distance) C4'-P energy: -70.666 bonds (distance) P-C4' energy: -76.485 flat angles C4'-P-C4' energy: -83.466 flat angles P-C4'-P energy: -54.081 tors. eta vs tors. theta energy: -120.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1225.902093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.902093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.902093 (E_RNA) where: Base-Base interactions energy: -846.928 where: short stacking energy: -362.860 Base-Backbone interact. energy: 2.183 local terms energy: -381.156588 where: bonds (distance) C4'-P energy: -74.217 bonds (distance) P-C4' energy: -62.760 flat angles C4'-P-C4' energy: -80.974 flat angles P-C4'-P energy: -55.526 tors. eta vs tors. theta energy: -107.679 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: 9 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1029.026024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.026024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.026024 (E_RNA) where: Base-Base interactions energy: -675.522 where: short stacking energy: -292.304 Base-Backbone interact. energy: -0.537 local terms energy: -352.966745 where: bonds (distance) C4'-P energy: -63.012 bonds (distance) P-C4' energy: -76.479 flat angles C4'-P-C4' energy: -87.944 flat angles P-C4'-P energy: -47.433 tors. eta vs tors. theta energy: -78.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -852.880784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.880784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.880784 (E_RNA) where: Base-Base interactions energy: -575.802 where: short stacking energy: -251.752 Base-Backbone interact. energy: -0.480 local terms energy: -276.599409 where: bonds (distance) C4'-P energy: -60.899 bonds (distance) P-C4' energy: -74.460 flat angles C4'-P-C4' energy: -58.500 flat angles P-C4'-P energy: -31.644 tors. eta vs tors. theta energy: -51.097 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: 1 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -819.184907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.184907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.184907 (E_RNA) where: Base-Base interactions energy: -540.881 where: short stacking energy: -247.433 Base-Backbone interact. energy: -1.662 local terms energy: -276.642618 where: bonds (distance) C4'-P energy: -54.978 bonds (distance) P-C4' energy: -65.317 flat angles C4'-P-C4' energy: -72.456 flat angles P-C4'-P energy: -42.295 tors. eta vs tors. theta energy: -41.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -570.636112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.636112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.636112 (E_RNA) where: Base-Base interactions energy: -353.679 where: short stacking energy: -148.172 Base-Backbone interact. energy: -2.758 local terms energy: -214.198743 where: bonds (distance) C4'-P energy: -65.158 bonds (distance) P-C4' energy: -67.915 flat angles C4'-P-C4' energy: -61.029 flat angles P-C4'-P energy: -23.411 tors. eta vs tors. theta energy: 3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -329.218146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.218146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.218146 (E_RNA) where: Base-Base interactions energy: -138.206 where: short stacking energy: -94.647 Base-Backbone interact. energy: 4.725 local terms energy: -195.737060 where: bonds (distance) C4'-P energy: -59.508 bonds (distance) P-C4' energy: -69.423 flat angles C4'-P-C4' energy: -46.351 flat angles P-C4'-P energy: -30.603 tors. eta vs tors. theta energy: 10.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1451.149792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.149792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.149792 (E_RNA) where: Base-Base interactions energy: -1010.680 where: short stacking energy: -428.958 Base-Backbone interact. energy: 0.924 local terms energy: -441.394529 where: bonds (distance) C4'-P energy: -76.080 bonds (distance) P-C4' energy: -79.497 flat angles C4'-P-C4' energy: -96.009 flat angles P-C4'-P energy: -59.380 tors. eta vs tors. theta energy: -130.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1341.844509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.844509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.844509 (E_RNA) where: Base-Base interactions energy: -912.255 where: short stacking energy: -389.154 Base-Backbone interact. energy: -0.116 local terms energy: -429.473139 where: bonds (distance) C4'-P energy: -77.038 bonds (distance) P-C4' energy: -85.244 flat angles C4'-P-C4' energy: -88.459 flat angles P-C4'-P energy: -64.580 tors. eta vs tors. theta energy: -114.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1323.482368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.482368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.482368 (E_RNA) where: Base-Base interactions energy: -913.063 where: short stacking energy: -391.002 Base-Backbone interact. energy: -0.731 local terms energy: -409.688674 where: bonds (distance) C4'-P energy: -74.079 bonds (distance) P-C4' energy: -73.180 flat angles C4'-P-C4' energy: -84.650 flat angles P-C4'-P energy: -68.460 tors. eta vs tors. theta energy: -109.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1278.500018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.500018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.500018 (E_RNA) where: Base-Base interactions energy: -885.852 where: short stacking energy: -380.189 Base-Backbone interact. energy: -2.077 local terms energy: -390.570442 where: bonds (distance) C4'-P energy: -69.684 bonds (distance) P-C4' energy: -72.825 flat angles C4'-P-C4' energy: -84.317 flat angles P-C4'-P energy: -59.794 tors. eta vs tors. theta energy: -103.950 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: 5, replica: 2 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1228.034295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.034295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.034295 (E_RNA) where: Base-Base interactions energy: -827.551 where: short stacking energy: -379.825 Base-Backbone interact. energy: -0.945 local terms energy: -399.537736 where: bonds (distance) C4'-P energy: -68.669 bonds (distance) P-C4' energy: -70.627 flat angles C4'-P-C4' energy: -86.633 flat angles P-C4'-P energy: -53.941 tors. eta vs tors. theta energy: -119.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1040.443593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.443593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.443593 (E_RNA) where: Base-Base interactions energy: -689.577 where: short stacking energy: -309.981 Base-Backbone interact. energy: -1.918 local terms energy: -348.948588 where: bonds (distance) C4'-P energy: -58.906 bonds (distance) P-C4' energy: -77.375 flat angles C4'-P-C4' energy: -85.544 flat angles P-C4'-P energy: -43.136 tors. eta vs tors. theta energy: -83.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -809.394537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.394537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.394537 (E_RNA) where: Base-Base interactions energy: -532.652 where: short stacking energy: -230.262 Base-Backbone interact. energy: 2.507 local terms energy: -279.249489 where: bonds (distance) C4'-P energy: -52.927 bonds (distance) P-C4' energy: -74.758 flat angles C4'-P-C4' energy: -72.279 flat angles P-C4'-P energy: -33.534 tors. eta vs tors. theta energy: -45.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -838.715444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.715444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.715444 (E_RNA) where: Base-Base interactions energy: -538.031 where: short stacking energy: -247.043 Base-Backbone interact. energy: -2.686 local terms energy: -297.998338 where: bonds (distance) C4'-P energy: -52.231 bonds (distance) P-C4' energy: -63.868 flat angles C4'-P-C4' energy: -70.005 flat angles P-C4'-P energy: -46.604 tors. eta vs tors. theta energy: -65.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -584.416251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.416251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.416251 (E_RNA) where: Base-Base interactions energy: -348.527 where: short stacking energy: -182.164 Base-Backbone interact. energy: -0.113 local terms energy: -235.775829 where: bonds (distance) C4'-P energy: -63.922 bonds (distance) P-C4' energy: -71.904 flat angles C4'-P-C4' energy: -67.711 flat angles P-C4'-P energy: -25.193 tors. eta vs tors. theta energy: -7.046 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: 8 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -315.670759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.670759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.670759 (E_RNA) where: Base-Base interactions energy: -111.277 where: short stacking energy: -89.797 Base-Backbone interact. energy: -0.172 local terms energy: -204.221936 where: bonds (distance) C4'-P energy: -57.100 bonds (distance) P-C4' energy: -67.256 flat angles C4'-P-C4' energy: -59.936 flat angles P-C4'-P energy: -29.530 tors. eta vs tors. theta energy: 9.600 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: 10 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1466.580622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.580622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.580622 (E_RNA) where: Base-Base interactions energy: -1006.908 where: short stacking energy: -433.692 Base-Backbone interact. energy: -2.125 local terms energy: -457.548050 where: bonds (distance) C4'-P energy: -77.266 bonds (distance) P-C4' energy: -89.640 flat angles C4'-P-C4' energy: -91.715 flat angles P-C4'-P energy: -68.098 tors. eta vs tors. theta energy: -130.829 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: 478 Temperature: 0.950000 Total energy: -1360.348520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.348520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.348520 (E_RNA) where: Base-Base interactions energy: -947.986 where: short stacking energy: -411.607 Base-Backbone interact. energy: -0.872 local terms energy: -411.490456 where: bonds (distance) C4'-P energy: -65.112 bonds (distance) P-C4' energy: -80.091 flat angles C4'-P-C4' energy: -88.770 flat angles P-C4'-P energy: -57.514 tors. eta vs tors. theta energy: -120.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1346.836298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.836298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.836298 (E_RNA) where: Base-Base interactions energy: -955.084 where: short stacking energy: -400.399 Base-Backbone interact. energy: 0.312 local terms energy: -392.063732 where: bonds (distance) C4'-P energy: -73.011 bonds (distance) P-C4' energy: -73.658 flat angles C4'-P-C4' energy: -81.385 flat angles P-C4'-P energy: -46.112 tors. eta vs tors. theta energy: -117.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1245.146769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.146769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.146769 (E_RNA) where: Base-Base interactions energy: -866.593 where: short stacking energy: -355.020 Base-Backbone interact. energy: 0.580 local terms energy: -379.133581 where: bonds (distance) C4'-P energy: -69.688 bonds (distance) P-C4' energy: -83.372 flat angles C4'-P-C4' energy: -73.736 flat angles P-C4'-P energy: -48.439 tors. eta vs tors. theta energy: -103.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1218.260078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.260078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.260078 (E_RNA) where: Base-Base interactions energy: -828.497 where: short stacking energy: -340.278 Base-Backbone interact. energy: -1.890 local terms energy: -387.873191 where: bonds (distance) C4'-P energy: -76.184 bonds (distance) P-C4' energy: -64.090 flat angles C4'-P-C4' energy: -81.721 flat angles P-C4'-P energy: -61.479 tors. eta vs tors. theta energy: -104.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1049.043502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.043502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.043502 (E_RNA) where: Base-Base interactions energy: -693.842 where: short stacking energy: -313.808 Base-Backbone interact. energy: -1.646 local terms energy: -353.555433 where: bonds (distance) C4'-P energy: -79.237 bonds (distance) P-C4' energy: -72.399 flat angles C4'-P-C4' energy: -78.125 flat angles P-C4'-P energy: -42.943 tors. eta vs tors. theta energy: -80.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -855.452129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.452129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.452129 (E_RNA) where: Base-Base interactions energy: -548.923 where: short stacking energy: -247.321 Base-Backbone interact. energy: -0.204 local terms energy: -306.325014 where: bonds (distance) C4'-P energy: -55.968 bonds (distance) P-C4' energy: -79.348 flat angles C4'-P-C4' energy: -68.995 flat angles P-C4'-P energy: -48.158 tors. eta vs tors. theta energy: -53.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -771.531905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.531905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.531905 (E_RNA) where: Base-Base interactions energy: -455.867 where: short stacking energy: -222.094 Base-Backbone interact. energy: -2.225 local terms energy: -313.440024 where: bonds (distance) C4'-P energy: -71.239 bonds (distance) P-C4' energy: -70.883 flat angles C4'-P-C4' energy: -83.415 flat angles P-C4'-P energy: -33.836 tors. eta vs tors. theta energy: -54.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -559.971696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.971696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.971696 (E_RNA) where: Base-Base interactions energy: -308.524 where: short stacking energy: -175.677 Base-Backbone interact. energy: 0.362 local terms energy: -251.809767 where: bonds (distance) C4'-P energy: -59.252 bonds (distance) P-C4' energy: -71.171 flat angles C4'-P-C4' energy: -59.034 flat angles P-C4'-P energy: -44.358 tors. eta vs tors. theta energy: -17.996 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: 8 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -309.029455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.029455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.029455 (E_RNA) where: Base-Base interactions energy: -112.476 where: short stacking energy: -98.261 Base-Backbone interact. energy: 1.516 local terms energy: -198.069750 where: bonds (distance) C4'-P energy: -51.818 bonds (distance) P-C4' energy: -72.431 flat angles C4'-P-C4' energy: -59.648 flat angles P-C4'-P energy: -13.946 tors. eta vs tors. theta energy: -0.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1467.272581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.272581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.272581 (E_RNA) where: Base-Base interactions energy: -1018.490 where: short stacking energy: -432.334 Base-Backbone interact. energy: -0.586 local terms energy: -448.196879 where: bonds (distance) C4'-P energy: -75.428 bonds (distance) P-C4' energy: -86.098 flat angles C4'-P-C4' energy: -94.749 flat angles P-C4'-P energy: -60.312 tors. eta vs tors. theta energy: -131.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1370.595056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.595056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.595056 (E_RNA) where: Base-Base interactions energy: -954.503 where: short stacking energy: -405.338 Base-Backbone interact. energy: -1.881 local terms energy: -414.211546 where: bonds (distance) C4'-P energy: -77.153 bonds (distance) P-C4' energy: -77.314 flat angles C4'-P-C4' energy: -90.771 flat angles P-C4'-P energy: -51.185 tors. eta vs tors. theta energy: -117.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1353.521478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.521478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.521478 (E_RNA) where: Base-Base interactions energy: -937.141 where: short stacking energy: -402.536 Base-Backbone interact. energy: -0.916 local terms energy: -415.464237 where: bonds (distance) C4'-P energy: -77.866 bonds (distance) P-C4' energy: -74.615 flat angles C4'-P-C4' energy: -84.129 flat angles P-C4'-P energy: -57.098 tors. eta vs tors. theta energy: -121.757 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: 479 Temperature: 1.050000 Total energy: -1242.703898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.703898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.703898 (E_RNA) where: Base-Base interactions energy: -847.753 where: short stacking energy: -380.176 Base-Backbone interact. energy: -0.383 local terms energy: -394.567555 where: bonds (distance) C4'-P energy: -64.817 bonds (distance) P-C4' energy: -78.081 flat angles C4'-P-C4' energy: -88.331 flat angles P-C4'-P energy: -53.097 tors. eta vs tors. theta energy: -110.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1250.406423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.406423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.406423 (E_RNA) where: Base-Base interactions energy: -884.377 where: short stacking energy: -381.385 Base-Backbone interact. energy: -0.142 local terms energy: -365.887487 where: bonds (distance) C4'-P energy: -58.373 bonds (distance) P-C4' energy: -67.249 flat angles C4'-P-C4' energy: -73.915 flat angles P-C4'-P energy: -52.884 tors. eta vs tors. theta energy: -113.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1040.351520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.351520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.351520 (E_RNA) where: Base-Base interactions energy: -707.983 where: short stacking energy: -339.815 Base-Backbone interact. energy: -1.477 local terms energy: -330.891286 where: bonds (distance) C4'-P energy: -54.458 bonds (distance) P-C4' energy: -62.852 flat angles C4'-P-C4' energy: -67.600 flat angles P-C4'-P energy: -53.926 tors. eta vs tors. theta energy: -92.055 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: 479 Temperature: 1.200000 Total energy: -883.988320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.988320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.988320 (E_RNA) where: Base-Base interactions energy: -567.065 where: short stacking energy: -261.636 Base-Backbone interact. energy: 0.338 local terms energy: -317.260927 where: bonds (distance) C4'-P energy: -75.735 bonds (distance) P-C4' energy: -59.466 flat angles C4'-P-C4' energy: -73.131 flat angles P-C4'-P energy: -50.925 tors. eta vs tors. theta energy: -58.004 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: 7 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -742.710882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.710882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.710882 (E_RNA) where: Base-Base interactions energy: -467.861 where: short stacking energy: -222.038 Base-Backbone interact. energy: 0.378 local terms energy: -275.227385 where: bonds (distance) C4'-P energy: -50.490 bonds (distance) P-C4' energy: -68.297 flat angles C4'-P-C4' energy: -68.885 flat angles P-C4'-P energy: -43.085 tors. eta vs tors. theta energy: -44.470 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: 5 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -572.095236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.095236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.095236 (E_RNA) where: Base-Base interactions energy: -332.366 where: short stacking energy: -159.761 Base-Backbone interact. energy: -2.385 local terms energy: -237.344538 where: bonds (distance) C4'-P energy: -59.746 bonds (distance) P-C4' energy: -62.991 flat angles C4'-P-C4' energy: -43.529 flat angles P-C4'-P energy: -42.170 tors. eta vs tors. theta energy: -28.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -318.071501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.071501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.071501 (E_RNA) where: Base-Base interactions energy: -151.759 where: short stacking energy: -113.387 Base-Backbone interact. energy: 3.297 local terms energy: -169.608856 where: bonds (distance) C4'-P energy: -55.401 bonds (distance) P-C4' energy: -62.163 flat angles C4'-P-C4' energy: -32.866 flat angles P-C4'-P energy: -24.953 tors. eta vs tors. theta energy: 5.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1445.402750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.402750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.402750 (E_RNA) where: Base-Base interactions energy: -1000.564 where: short stacking energy: -428.906 Base-Backbone interact. energy: 0.124 local terms energy: -444.962476 where: bonds (distance) C4'-P energy: -74.936 bonds (distance) P-C4' energy: -79.600 flat angles C4'-P-C4' energy: -93.663 flat angles P-C4'-P energy: -62.577 tors. eta vs tors. theta energy: -134.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1351.654724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.654724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.654724 (E_RNA) where: Base-Base interactions energy: -934.598 where: short stacking energy: -410.223 Base-Backbone interact. energy: -0.835 local terms energy: -416.220924 where: bonds (distance) C4'-P energy: -71.543 bonds (distance) P-C4' energy: -74.427 flat angles C4'-P-C4' energy: -84.960 flat angles P-C4'-P energy: -63.267 tors. eta vs tors. theta energy: -122.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1381.228137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.228137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.228137 (E_RNA) where: Base-Base interactions energy: -973.543 where: short stacking energy: -412.364 Base-Backbone interact. energy: -1.555 local terms energy: -406.130207 where: bonds (distance) C4'-P energy: -75.603 bonds (distance) P-C4' energy: -67.029 flat angles C4'-P-C4' energy: -89.885 flat angles P-C4'-P energy: -50.951 tors. eta vs tors. theta energy: -122.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1223.324782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.324782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.324782 (E_RNA) where: Base-Base interactions energy: -854.907 where: short stacking energy: -373.571 Base-Backbone interact. energy: -1.096 local terms energy: -367.321024 where: bonds (distance) C4'-P energy: -59.100 bonds (distance) P-C4' energy: -65.556 flat angles C4'-P-C4' energy: -79.552 flat angles P-C4'-P energy: -58.349 tors. eta vs tors. theta energy: -104.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1241.856924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.856924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.856924 (E_RNA) where: Base-Base interactions energy: -854.037 where: short stacking energy: -381.569 Base-Backbone interact. energy: -1.422 local terms energy: -386.398283 where: bonds (distance) C4'-P energy: -67.107 bonds (distance) P-C4' energy: -68.371 flat angles C4'-P-C4' energy: -85.154 flat angles P-C4'-P energy: -56.148 tors. eta vs tors. theta energy: -109.618 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: 9 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1031.636231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.636231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.636231 (E_RNA) where: Base-Base interactions energy: -708.891 where: short stacking energy: -303.486 Base-Backbone interact. energy: -0.065 local terms energy: -322.679826 where: bonds (distance) C4'-P energy: -61.307 bonds (distance) P-C4' energy: -74.561 flat angles C4'-P-C4' energy: -63.186 flat angles P-C4'-P energy: -41.896 tors. eta vs tors. theta energy: -81.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -890.925030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.925030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.925030 (E_RNA) where: Base-Base interactions energy: -554.130 where: short stacking energy: -266.633 Base-Backbone interact. energy: -0.766 local terms energy: -336.029518 where: bonds (distance) C4'-P energy: -68.048 bonds (distance) P-C4' energy: -72.773 flat angles C4'-P-C4' energy: -80.472 flat angles P-C4'-P energy: -47.321 tors. eta vs tors. theta energy: -67.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -652.904800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.904800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.904800 (E_RNA) where: Base-Base interactions energy: -375.051 where: short stacking energy: -177.789 Base-Backbone interact. energy: 1.274 local terms energy: -279.127626 where: bonds (distance) C4'-P energy: -75.139 bonds (distance) P-C4' energy: -66.250 flat angles C4'-P-C4' energy: -74.365 flat angles P-C4'-P energy: -35.476 tors. eta vs tors. theta energy: -27.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -603.085063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.085063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.085063 (E_RNA) where: Base-Base interactions energy: -350.729 where: short stacking energy: -164.228 Base-Backbone interact. energy: -2.020 local terms energy: -250.335859 where: bonds (distance) C4'-P energy: -60.322 bonds (distance) P-C4' energy: -73.241 flat angles C4'-P-C4' energy: -48.793 flat angles P-C4'-P energy: -47.700 tors. eta vs tors. theta energy: -20.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -347.353635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.353635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.353635 (E_RNA) where: Base-Base interactions energy: -134.099 where: short stacking energy: -118.601 Base-Backbone interact. energy: -0.582 local terms energy: -212.672871 where: bonds (distance) C4'-P energy: -61.614 bonds (distance) P-C4' energy: -65.406 flat angles C4'-P-C4' energy: -63.513 flat angles P-C4'-P energy: -22.097 tors. eta vs tors. theta energy: -0.043 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: 10 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1444.472135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.472135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.472135 (E_RNA) where: Base-Base interactions energy: -993.634 where: short stacking energy: -420.084 Base-Backbone interact. energy: -3.011 local terms energy: -447.827103 where: bonds (distance) C4'-P energy: -76.325 bonds (distance) P-C4' energy: -83.283 flat angles C4'-P-C4' energy: -96.313 flat angles P-C4'-P energy: -61.754 tors. eta vs tors. theta energy: -130.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1399.852818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.852818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.852818 (E_RNA) where: Base-Base interactions energy: -975.747 where: short stacking energy: -421.563 Base-Backbone interact. energy: -1.545 local terms energy: -422.560886 where: bonds (distance) C4'-P energy: -80.886 bonds (distance) P-C4' energy: -71.351 flat angles C4'-P-C4' energy: -90.418 flat angles P-C4'-P energy: -60.866 tors. eta vs tors. theta energy: -119.040 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: 4 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1349.367448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.367448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.367448 (E_RNA) where: Base-Base interactions energy: -922.906 where: short stacking energy: -398.339 Base-Backbone interact. energy: -2.139 local terms energy: -424.322034 where: bonds (distance) C4'-P energy: -63.154 bonds (distance) P-C4' energy: -83.768 flat angles C4'-P-C4' energy: -91.212 flat angles P-C4'-P energy: -66.147 tors. eta vs tors. theta energy: -120.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1240.998912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.998912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.998912 (E_RNA) where: Base-Base interactions energy: -847.958 where: short stacking energy: -370.714 Base-Backbone interact. energy: -0.367 local terms energy: -392.674120 where: bonds (distance) C4'-P energy: -77.924 bonds (distance) P-C4' energy: -74.407 flat angles C4'-P-C4' energy: -76.291 flat angles P-C4'-P energy: -53.269 tors. eta vs tors. theta energy: -110.784 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: 481 Temperature: 1.100000 Total energy: -1199.269557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.269557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.269557 (E_RNA) where: Base-Base interactions energy: -815.129 where: short stacking energy: -346.123 Base-Backbone interact. energy: -1.535 local terms energy: -382.605282 where: bonds (distance) C4'-P energy: -72.395 bonds (distance) P-C4' energy: -64.385 flat angles C4'-P-C4' energy: -82.055 flat angles P-C4'-P energy: -52.693 tors. eta vs tors. theta energy: -111.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1099.980638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.980638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.980638 (E_RNA) where: Base-Base interactions energy: -736.938 where: short stacking energy: -346.094 Base-Backbone interact. energy: -1.058 local terms energy: -361.984656 where: bonds (distance) C4'-P energy: -61.589 bonds (distance) P-C4' energy: -67.848 flat angles C4'-P-C4' energy: -82.223 flat angles P-C4'-P energy: -52.520 tors. eta vs tors. theta energy: -97.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -880.928782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.928782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.928782 (E_RNA) where: Base-Base interactions energy: -543.306 where: short stacking energy: -256.010 Base-Backbone interact. energy: -1.318 local terms energy: -336.304764 where: bonds (distance) C4'-P energy: -76.025 bonds (distance) P-C4' energy: -75.403 flat angles C4'-P-C4' energy: -68.573 flat angles P-C4'-P energy: -52.905 tors. eta vs tors. theta energy: -63.400 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: 8, replica: 7 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -700.123015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.123015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.123015 (E_RNA) where: Base-Base interactions energy: -435.678 where: short stacking energy: -220.329 Base-Backbone interact. energy: 1.729 local terms energy: -266.173810 where: bonds (distance) C4'-P energy: -64.679 bonds (distance) P-C4' energy: -62.428 flat angles C4'-P-C4' energy: -50.515 flat angles P-C4'-P energy: -34.269 tors. eta vs tors. theta energy: -54.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -607.609370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.609370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.609370 (E_RNA) where: Base-Base interactions energy: -339.812 where: short stacking energy: -182.019 Base-Backbone interact. energy: -0.217 local terms energy: -267.579446 where: bonds (distance) C4'-P energy: -62.548 bonds (distance) P-C4' energy: -76.956 flat angles C4'-P-C4' energy: -65.267 flat angles P-C4'-P energy: -31.373 tors. eta vs tors. theta energy: -31.436 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: 481 Temperature: 1.350000 Total energy: -324.057033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.057033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.057033 (E_RNA) where: Base-Base interactions energy: -140.323 where: short stacking energy: -116.899 Base-Backbone interact. energy: -2.948 local terms energy: -180.786239 where: bonds (distance) C4'-P energy: -51.355 bonds (distance) P-C4' energy: -50.973 flat angles C4'-P-C4' energy: -53.451 flat angles P-C4'-P energy: -32.040 tors. eta vs tors. theta energy: 7.033 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: 6 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1408.242709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.242709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.242709 (E_RNA) where: Base-Base interactions energy: -985.720 where: short stacking energy: -412.517 Base-Backbone interact. energy: 0.504 local terms energy: -423.027320 where: bonds (distance) C4'-P energy: -72.469 bonds (distance) P-C4' energy: -77.465 flat angles C4'-P-C4' energy: -83.178 flat angles P-C4'-P energy: -55.133 tors. eta vs tors. theta energy: -134.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1410.643121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.643121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.643121 (E_RNA) where: Base-Base interactions energy: -982.799 where: short stacking energy: -417.714 Base-Backbone interact. energy: -1.713 local terms energy: -426.131106 where: bonds (distance) C4'-P energy: -76.174 bonds (distance) P-C4' energy: -74.365 flat angles C4'-P-C4' energy: -89.574 flat angles P-C4'-P energy: -60.055 tors. eta vs tors. theta energy: -125.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1321.254576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.254576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.254576 (E_RNA) where: Base-Base interactions energy: -921.987 where: short stacking energy: -375.982 Base-Backbone interact. energy: -0.544 local terms energy: -398.723242 where: bonds (distance) C4'-P energy: -71.829 bonds (distance) P-C4' energy: -73.758 flat angles C4'-P-C4' energy: -81.551 flat angles P-C4'-P energy: -55.794 tors. eta vs tors. theta energy: -115.792 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: 4, replica: 3 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1265.670948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.670948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.670948 (E_RNA) where: Base-Base interactions energy: -888.750 where: short stacking energy: -383.220 Base-Backbone interact. energy: -2.949 local terms energy: -373.971338 where: bonds (distance) C4'-P energy: -71.166 bonds (distance) P-C4' energy: -55.243 flat angles C4'-P-C4' energy: -92.960 flat angles P-C4'-P energy: -47.163 tors. eta vs tors. theta energy: -107.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1222.005035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.005035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.005035 (E_RNA) where: Base-Base interactions energy: -838.135 where: short stacking energy: -372.688 Base-Backbone interact. energy: -1.241 local terms energy: -382.628769 where: bonds (distance) C4'-P energy: -64.508 bonds (distance) P-C4' energy: -79.171 flat angles C4'-P-C4' energy: -81.080 flat angles P-C4'-P energy: -45.341 tors. eta vs tors. theta energy: -112.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1050.417481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.417481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.417481 (E_RNA) where: Base-Base interactions energy: -698.489 where: short stacking energy: -309.697 Base-Backbone interact. energy: -0.146 local terms energy: -351.783071 where: bonds (distance) C4'-P energy: -63.157 bonds (distance) P-C4' energy: -79.353 flat angles C4'-P-C4' energy: -83.199 flat angles P-C4'-P energy: -52.145 tors. eta vs tors. theta energy: -73.930 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: 7, replica: 1 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -861.263357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.263357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.263357 (E_RNA) where: Base-Base interactions energy: -552.070 where: short stacking energy: -266.552 Base-Backbone interact. energy: -0.293 local terms energy: -308.899631 where: bonds (distance) C4'-P energy: -55.826 bonds (distance) P-C4' energy: -59.407 flat angles C4'-P-C4' energy: -79.666 flat angles P-C4'-P energy: -45.908 tors. eta vs tors. theta energy: -68.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -795.657909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.657909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.657909 (E_RNA) where: Base-Base interactions energy: -493.060 where: short stacking energy: -224.085 Base-Backbone interact. energy: -2.273 local terms energy: -300.325557 where: bonds (distance) C4'-P energy: -70.369 bonds (distance) P-C4' energy: -64.715 flat angles C4'-P-C4' energy: -79.321 flat angles P-C4'-P energy: -31.998 tors. eta vs tors. theta energy: -53.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -651.654765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.654765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.654765 (E_RNA) where: Base-Base interactions energy: -378.184 where: short stacking energy: -189.551 Base-Backbone interact. energy: -0.923 local terms energy: -272.547243 where: bonds (distance) C4'-P energy: -76.010 bonds (distance) P-C4' energy: -59.036 flat angles C4'-P-C4' energy: -68.057 flat angles P-C4'-P energy: -40.844 tors. eta vs tors. theta energy: -28.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -348.889908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.889908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.889908 (E_RNA) where: Base-Base interactions energy: -151.416 where: short stacking energy: -117.864 Base-Backbone interact. energy: 0.470 local terms energy: -197.944331 where: bonds (distance) C4'-P energy: -34.368 bonds (distance) P-C4' energy: -71.983 flat angles C4'-P-C4' energy: -70.127 flat angles P-C4'-P energy: -24.303 tors. eta vs tors. theta energy: 2.837 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: 6 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1397.958237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.958237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.958237 (E_RNA) where: Base-Base interactions energy: -967.654 where: short stacking energy: -417.875 Base-Backbone interact. energy: -2.257 local terms energy: -428.047069 where: bonds (distance) C4'-P energy: -81.618 bonds (distance) P-C4' energy: -82.924 flat angles C4'-P-C4' energy: -87.881 flat angles P-C4'-P energy: -55.236 tors. eta vs tors. theta energy: -120.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1441.911968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.911968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.911968 (E_RNA) where: Base-Base interactions energy: -1012.093 where: short stacking energy: -429.289 Base-Backbone interact. energy: -0.484 local terms energy: -429.334598 where: bonds (distance) C4'-P energy: -64.903 bonds (distance) P-C4' energy: -85.475 flat angles C4'-P-C4' energy: -86.464 flat angles P-C4'-P energy: -60.844 tors. eta vs tors. theta energy: -131.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1349.097997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.097997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.097997 (E_RNA) where: Base-Base interactions energy: -915.670 where: short stacking energy: -402.566 Base-Backbone interact. energy: -0.631 local terms energy: -432.796785 where: bonds (distance) C4'-P energy: -78.906 bonds (distance) P-C4' energy: -70.665 flat angles C4'-P-C4' energy: -89.757 flat angles P-C4'-P energy: -63.997 tors. eta vs tors. theta energy: -129.472 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: 3 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1279.080746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.080746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.080746 (E_RNA) where: Base-Base interactions energy: -876.906 where: short stacking energy: -384.206 Base-Backbone interact. energy: -1.544 local terms energy: -400.631043 where: bonds (distance) C4'-P energy: -69.229 bonds (distance) P-C4' energy: -79.856 flat angles C4'-P-C4' energy: -86.144 flat angles P-C4'-P energy: -54.130 tors. eta vs tors. theta energy: -111.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1209.329697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.329697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.329697 (E_RNA) where: Base-Base interactions energy: -836.202 where: short stacking energy: -363.048 Base-Backbone interact. energy: -1.366 local terms energy: -371.761801 where: bonds (distance) C4'-P energy: -74.939 bonds (distance) P-C4' energy: -63.914 flat angles C4'-P-C4' energy: -81.697 flat angles P-C4'-P energy: -47.725 tors. eta vs tors. theta energy: -103.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1050.111716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.111716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.111716 (E_RNA) where: Base-Base interactions energy: -694.465 where: short stacking energy: -303.364 Base-Backbone interact. energy: -1.102 local terms energy: -354.544887 where: bonds (distance) C4'-P energy: -79.960 bonds (distance) P-C4' energy: -69.026 flat angles C4'-P-C4' energy: -75.093 flat angles P-C4'-P energy: -52.801 tors. eta vs tors. theta energy: -77.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -887.082371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.082371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.082371 (E_RNA) where: Base-Base interactions energy: -568.974 where: short stacking energy: -248.963 Base-Backbone interact. energy: 2.405 local terms energy: -320.513795 where: bonds (distance) C4'-P energy: -72.955 bonds (distance) P-C4' energy: -69.159 flat angles C4'-P-C4' energy: -77.442 flat angles P-C4'-P energy: -39.135 tors. eta vs tors. theta energy: -61.823 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: 7 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -782.007074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.007074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.007074 (E_RNA) where: Base-Base interactions energy: -471.292 where: short stacking energy: -224.831 Base-Backbone interact. energy: 1.335 local terms energy: -312.049432 where: bonds (distance) C4'-P energy: -60.339 bonds (distance) P-C4' energy: -78.672 flat angles C4'-P-C4' energy: -69.160 flat angles P-C4'-P energy: -47.413 tors. eta vs tors. theta energy: -56.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -715.785237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.785237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.785237 (E_RNA) where: Base-Base interactions energy: -489.907 where: short stacking energy: -213.209 Base-Backbone interact. energy: -1.811 local terms energy: -224.066633 where: bonds (distance) C4'-P energy: -49.617 bonds (distance) P-C4' energy: -61.256 flat angles C4'-P-C4' energy: -41.201 flat angles P-C4'-P energy: -37.367 tors. eta vs tors. theta energy: -34.626 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: 8 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -326.281741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.281741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.281741 (E_RNA) where: Base-Base interactions energy: -114.554 where: short stacking energy: -96.841 Base-Backbone interact. energy: -1.200 local terms energy: -210.527483 where: bonds (distance) C4'-P energy: -60.223 bonds (distance) P-C4' energy: -76.378 flat angles C4'-P-C4' energy: -63.146 flat angles P-C4'-P energy: -29.482 tors. eta vs tors. theta energy: 18.701 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: 1, replica: 10 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1440.554762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.554762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.554762 (E_RNA) where: Base-Base interactions energy: -1014.784 where: short stacking energy: -433.357 Base-Backbone interact. energy: -3.288 local terms energy: -422.483569 where: bonds (distance) C4'-P energy: -70.430 bonds (distance) P-C4' energy: -77.307 flat angles C4'-P-C4' energy: -83.209 flat angles P-C4'-P energy: -62.832 tors. eta vs tors. theta energy: -128.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1386.218259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.218259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.218259 (E_RNA) where: Base-Base interactions energy: -955.012 where: short stacking energy: -415.293 Base-Backbone interact. energy: -3.079 local terms energy: -428.127538 where: bonds (distance) C4'-P energy: -79.074 bonds (distance) P-C4' energy: -78.664 flat angles C4'-P-C4' energy: -89.935 flat angles P-C4'-P energy: -49.811 tors. eta vs tors. theta energy: -130.643 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: 4 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1333.809304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.809304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.809304 (E_RNA) where: Base-Base interactions energy: -927.074 where: short stacking energy: -408.862 Base-Backbone interact. energy: -1.958 local terms energy: -404.777561 where: bonds (distance) C4'-P energy: -72.031 bonds (distance) P-C4' energy: -73.875 flat angles C4'-P-C4' energy: -81.313 flat angles P-C4'-P energy: -51.249 tors. eta vs tors. theta energy: -126.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1269.890168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.890168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.890168 (E_RNA) where: Base-Base interactions energy: -877.237 where: short stacking energy: -373.905 Base-Backbone interact. energy: 1.152 local terms energy: -393.804815 where: bonds (distance) C4'-P energy: -68.000 bonds (distance) P-C4' energy: -80.053 flat angles C4'-P-C4' energy: -86.065 flat angles P-C4'-P energy: -56.441 tors. eta vs tors. theta energy: -103.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1206.272078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.272078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.272078 (E_RNA) where: Base-Base interactions energy: -820.416 where: short stacking energy: -366.173 Base-Backbone interact. energy: -2.305 local terms energy: -383.550461 where: bonds (distance) C4'-P energy: -60.523 bonds (distance) P-C4' energy: -77.742 flat angles C4'-P-C4' energy: -76.758 flat angles P-C4'-P energy: -54.241 tors. eta vs tors. theta energy: -114.286 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: 9 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1032.402574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.402574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.402574 (E_RNA) where: Base-Base interactions energy: -700.089 where: short stacking energy: -316.229 Base-Backbone interact. energy: 0.961 local terms energy: -333.274732 where: bonds (distance) C4'-P energy: -73.269 bonds (distance) P-C4' energy: -63.398 flat angles C4'-P-C4' energy: -73.251 flat angles P-C4'-P energy: -42.720 tors. eta vs tors. theta energy: -80.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -813.330516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.330516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.330516 (E_RNA) where: Base-Base interactions energy: -492.832 where: short stacking energy: -220.012 Base-Backbone interact. energy: -0.502 local terms energy: -319.996370 where: bonds (distance) C4'-P energy: -70.752 bonds (distance) P-C4' energy: -65.951 flat angles C4'-P-C4' energy: -76.700 flat angles P-C4'-P energy: -52.463 tors. eta vs tors. theta energy: -54.131 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: 484 Temperature: 1.250000 Total energy: -953.258105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.258105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.258105 (E_RNA) where: Base-Base interactions energy: -619.678 where: short stacking energy: -267.500 Base-Backbone interact. energy: -2.345 local terms energy: -331.234485 where: bonds (distance) C4'-P energy: -53.365 bonds (distance) P-C4' energy: -76.925 flat angles C4'-P-C4' energy: -80.755 flat angles P-C4'-P energy: -51.752 tors. eta vs tors. theta energy: -68.438 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: 5 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -691.568872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.568872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.568872 (E_RNA) where: Base-Base interactions energy: -459.810 where: short stacking energy: -196.994 Base-Backbone interact. energy: -2.108 local terms energy: -229.650809 where: bonds (distance) C4'-P energy: -46.447 bonds (distance) P-C4' energy: -64.038 flat angles C4'-P-C4' energy: -57.937 flat angles P-C4'-P energy: -37.778 tors. eta vs tors. theta energy: -23.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -321.029314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.029314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.029314 (E_RNA) where: Base-Base interactions energy: -116.607 where: short stacking energy: -104.545 Base-Backbone interact. energy: 1.577 local terms energy: -205.999542 where: bonds (distance) C4'-P energy: -57.056 bonds (distance) P-C4' energy: -63.902 flat angles C4'-P-C4' energy: -64.339 flat angles P-C4'-P energy: -25.205 tors. eta vs tors. theta energy: 4.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1455.362249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.362249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.362249 (E_RNA) where: Base-Base interactions energy: -1000.192 where: short stacking energy: -437.629 Base-Backbone interact. energy: 0.790 local terms energy: -455.959987 where: bonds (distance) C4'-P energy: -80.409 bonds (distance) P-C4' energy: -85.577 flat angles C4'-P-C4' energy: -89.685 flat angles P-C4'-P energy: -66.936 tors. eta vs tors. theta energy: -133.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1373.655817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.655817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.655817 (E_RNA) where: Base-Base interactions energy: -964.083 where: short stacking energy: -400.895 Base-Backbone interact. energy: 3.347 local terms energy: -412.919933 where: bonds (distance) C4'-P energy: -70.271 bonds (distance) P-C4' energy: -73.107 flat angles C4'-P-C4' energy: -87.429 flat angles P-C4'-P energy: -60.501 tors. eta vs tors. theta energy: -121.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1351.954996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.954996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.954996 (E_RNA) where: Base-Base interactions energy: -946.360 where: short stacking energy: -416.716 Base-Backbone interact. energy: -1.329 local terms energy: -404.265490 where: bonds (distance) C4'-P energy: -82.520 bonds (distance) P-C4' energy: -71.261 flat angles C4'-P-C4' energy: -79.646 flat angles P-C4'-P energy: -55.738 tors. eta vs tors. theta energy: -115.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1228.518366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.518366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.518366 (E_RNA) where: Base-Base interactions energy: -827.972 where: short stacking energy: -381.865 Base-Backbone interact. energy: 1.221 local terms energy: -401.767394 where: bonds (distance) C4'-P energy: -73.863 bonds (distance) P-C4' energy: -69.150 flat angles C4'-P-C4' energy: -87.749 flat angles P-C4'-P energy: -57.232 tors. eta vs tors. theta energy: -113.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1200.039304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.039304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.039304 (E_RNA) where: Base-Base interactions energy: -826.835 where: short stacking energy: -355.159 Base-Backbone interact. energy: 0.267 local terms energy: -373.470805 where: bonds (distance) C4'-P energy: -68.437 bonds (distance) P-C4' energy: -73.496 flat angles C4'-P-C4' energy: -70.303 flat angles P-C4'-P energy: -57.835 tors. eta vs tors. theta energy: -103.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1028.147308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.147308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.147308 (E_RNA) where: Base-Base interactions energy: -694.930 where: short stacking energy: -292.575 Base-Backbone interact. energy: -2.760 local terms energy: -330.456891 where: bonds (distance) C4'-P energy: -66.152 bonds (distance) P-C4' energy: -65.307 flat angles C4'-P-C4' energy: -79.367 flat angles P-C4'-P energy: -51.068 tors. eta vs tors. theta energy: -68.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -837.428242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.428242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.428242 (E_RNA) where: Base-Base interactions energy: -534.986 where: short stacking energy: -261.459 Base-Backbone interact. energy: 0.245 local terms energy: -302.687655 where: bonds (distance) C4'-P energy: -66.416 bonds (distance) P-C4' energy: -77.390 flat angles C4'-P-C4' energy: -73.346 flat angles P-C4'-P energy: -28.013 tors. eta vs tors. theta energy: -57.523 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: 1 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -907.870565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.870565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.870565 (E_RNA) where: Base-Base interactions energy: -594.326 where: short stacking energy: -263.553 Base-Backbone interact. energy: 0.688 local terms energy: -314.232900 where: bonds (distance) C4'-P energy: -65.355 bonds (distance) P-C4' energy: -64.490 flat angles C4'-P-C4' energy: -69.071 flat angles P-C4'-P energy: -40.611 tors. eta vs tors. theta energy: -74.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -688.796061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.796061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.796061 (E_RNA) where: Base-Base interactions energy: -427.513 where: short stacking energy: -223.359 Base-Backbone interact. energy: -2.210 local terms energy: -259.072219 where: bonds (distance) C4'-P energy: -71.459 bonds (distance) P-C4' energy: -48.578 flat angles C4'-P-C4' energy: -57.961 flat angles P-C4'-P energy: -38.478 tors. eta vs tors. theta energy: -42.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -333.604092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.604092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.604092 (E_RNA) where: Base-Base interactions energy: -124.712 where: short stacking energy: -90.419 Base-Backbone interact. energy: 2.424 local terms energy: -211.315725 where: bonds (distance) C4'-P energy: -74.330 bonds (distance) P-C4' energy: -61.994 flat angles C4'-P-C4' energy: -44.047 flat angles P-C4'-P energy: -29.739 tors. eta vs tors. theta energy: -1.206 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: 10 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1454.777813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.777813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.777813 (E_RNA) where: Base-Base interactions energy: -1028.193 where: short stacking energy: -430.759 Base-Backbone interact. energy: -0.457 local terms energy: -426.127758 where: bonds (distance) C4'-P energy: -72.913 bonds (distance) P-C4' energy: -71.737 flat angles C4'-P-C4' energy: -89.118 flat angles P-C4'-P energy: -66.617 tors. eta vs tors. theta energy: -125.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1381.469561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.469561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.469561 (E_RNA) where: Base-Base interactions energy: -951.631 where: short stacking energy: -405.332 Base-Backbone interact. energy: -2.990 local terms energy: -426.849522 where: bonds (distance) C4'-P energy: -77.982 bonds (distance) P-C4' energy: -80.515 flat angles C4'-P-C4' energy: -81.168 flat angles P-C4'-P energy: -60.449 tors. eta vs tors. theta energy: -126.735 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: 4 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1337.193693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.193693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.193693 (E_RNA) where: Base-Base interactions energy: -911.836 where: short stacking energy: -399.128 Base-Backbone interact. energy: -2.673 local terms energy: -422.685319 where: bonds (distance) C4'-P energy: -73.983 bonds (distance) P-C4' energy: -71.926 flat angles C4'-P-C4' energy: -95.798 flat angles P-C4'-P energy: -54.484 tors. eta vs tors. theta energy: -126.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1251.238072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.238072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.238072 (E_RNA) where: Base-Base interactions energy: -853.938 where: short stacking energy: -379.080 Base-Backbone interact. energy: -1.531 local terms energy: -395.768565 where: bonds (distance) C4'-P energy: -71.007 bonds (distance) P-C4' energy: -73.504 flat angles C4'-P-C4' energy: -74.085 flat angles P-C4'-P energy: -70.674 tors. eta vs tors. theta energy: -106.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1184.300460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.300460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.300460 (E_RNA) where: Base-Base interactions energy: -818.095 where: short stacking energy: -370.043 Base-Backbone interact. energy: -1.258 local terms energy: -364.947893 where: bonds (distance) C4'-P energy: -67.349 bonds (distance) P-C4' energy: -68.294 flat angles C4'-P-C4' energy: -75.712 flat angles P-C4'-P energy: -57.404 tors. eta vs tors. theta energy: -96.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -945.944746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.944746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.944746 (E_RNA) where: Base-Base interactions energy: -625.773 where: short stacking energy: -286.780 Base-Backbone interact. energy: 0.439 local terms energy: -320.610731 where: bonds (distance) C4'-P energy: -62.550 bonds (distance) P-C4' energy: -60.103 flat angles C4'-P-C4' energy: -73.613 flat angles P-C4'-P energy: -47.755 tors. eta vs tors. theta energy: -76.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -858.469193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.469193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.469193 (E_RNA) where: Base-Base interactions energy: -553.644 where: short stacking energy: -223.349 Base-Backbone interact. energy: -1.184 local terms energy: -303.641198 where: bonds (distance) C4'-P energy: -77.134 bonds (distance) P-C4' energy: -72.854 flat angles C4'-P-C4' energy: -65.951 flat angles P-C4'-P energy: -44.475 tors. eta vs tors. theta energy: -43.227 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: 1 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -857.205848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.205848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.205848 (E_RNA) where: Base-Base interactions energy: -543.588 where: short stacking energy: -251.674 Base-Backbone interact. energy: 1.010 local terms energy: -314.627140 where: bonds (distance) C4'-P energy: -65.231 bonds (distance) P-C4' energy: -79.477 flat angles C4'-P-C4' energy: -76.198 flat angles P-C4'-P energy: -41.966 tors. eta vs tors. theta energy: -51.755 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: 5 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -717.480986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.480986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.480986 (E_RNA) where: Base-Base interactions energy: -431.034 where: short stacking energy: -201.199 Base-Backbone interact. energy: -3.207 local terms energy: -283.239862 where: bonds (distance) C4'-P energy: -64.916 bonds (distance) P-C4' energy: -63.018 flat angles C4'-P-C4' energy: -69.247 flat angles P-C4'-P energy: -49.718 tors. eta vs tors. theta energy: -36.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -324.760775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.760775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.760775 (E_RNA) where: Base-Base interactions energy: -109.852 where: short stacking energy: -74.793 Base-Backbone interact. energy: -2.448 local terms energy: -212.461276 where: bonds (distance) C4'-P energy: -67.205 bonds (distance) P-C4' energy: -71.780 flat angles C4'-P-C4' energy: -48.943 flat angles P-C4'-P energy: -32.177 tors. eta vs tors. theta energy: 7.644 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: 10 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1458.788697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.788697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.788697 (E_RNA) where: Base-Base interactions energy: -1019.267 where: short stacking energy: -437.199 Base-Backbone interact. energy: -1.044 local terms energy: -438.477763 where: bonds (distance) C4'-P energy: -82.207 bonds (distance) P-C4' energy: -74.470 flat angles C4'-P-C4' energy: -91.074 flat angles P-C4'-P energy: -57.233 tors. eta vs tors. theta energy: -133.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1366.595290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.595290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.595290 (E_RNA) where: Base-Base interactions energy: -942.111 where: short stacking energy: -382.442 Base-Backbone interact. energy: -1.389 local terms energy: -423.095303 where: bonds (distance) C4'-P energy: -76.197 bonds (distance) P-C4' energy: -78.886 flat angles C4'-P-C4' energy: -79.803 flat angles P-C4'-P energy: -69.378 tors. eta vs tors. theta energy: -118.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1354.479675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.479675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.479675 (E_RNA) where: Base-Base interactions energy: -924.902 where: short stacking energy: -420.828 Base-Backbone interact. energy: -0.712 local terms energy: -428.865174 where: bonds (distance) C4'-P energy: -69.537 bonds (distance) P-C4' energy: -73.211 flat angles C4'-P-C4' energy: -87.280 flat angles P-C4'-P energy: -63.865 tors. eta vs tors. theta energy: -134.972 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: 4, replica: 3 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1256.901139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.901139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.901139 (E_RNA) where: Base-Base interactions energy: -880.538 where: short stacking energy: -383.248 Base-Backbone interact. energy: -0.616 local terms energy: -375.747485 where: bonds (distance) C4'-P energy: -64.573 bonds (distance) P-C4' energy: -66.424 flat angles C4'-P-C4' energy: -84.666 flat angles P-C4'-P energy: -54.259 tors. eta vs tors. theta energy: -105.826 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: 487 Temperature: 1.100000 Total energy: -1177.655900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.655900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.655900 (E_RNA) where: Base-Base interactions energy: -802.635 where: short stacking energy: -327.934 Base-Backbone interact. energy: 1.806 local terms energy: -376.827037 where: bonds (distance) C4'-P energy: -68.779 bonds (distance) P-C4' energy: -71.939 flat angles C4'-P-C4' energy: -79.179 flat angles P-C4'-P energy: -53.452 tors. eta vs tors. theta energy: -103.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -985.045255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.045255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.045255 (E_RNA) where: Base-Base interactions energy: -633.251 where: short stacking energy: -283.762 Base-Backbone interact. energy: -0.725 local terms energy: -351.069614 where: bonds (distance) C4'-P energy: -79.279 bonds (distance) P-C4' energy: -65.477 flat angles C4'-P-C4' energy: -75.899 flat angles P-C4'-P energy: -52.117 tors. eta vs tors. theta energy: -78.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -918.062116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.062116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.062116 (E_RNA) where: Base-Base interactions energy: -600.453 where: short stacking energy: -293.743 Base-Backbone interact. energy: -2.329 local terms energy: -315.280031 where: bonds (distance) C4'-P energy: -65.238 bonds (distance) P-C4' energy: -67.368 flat angles C4'-P-C4' energy: -68.736 flat angles P-C4'-P energy: -36.817 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: 8, replica: 1 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -835.741829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.741829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.741829 (E_RNA) where: Base-Base interactions energy: -542.010 where: short stacking energy: -243.693 Base-Backbone interact. energy: -0.480 local terms energy: -293.251732 where: bonds (distance) C4'-P energy: -62.628 bonds (distance) P-C4' energy: -68.082 flat angles C4'-P-C4' energy: -62.220 flat angles P-C4'-P energy: -37.020 tors. eta vs tors. theta energy: -63.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -759.115461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.115461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.115461 (E_RNA) where: Base-Base interactions energy: -464.272 where: short stacking energy: -218.558 Base-Backbone interact. energy: -0.062 local terms energy: -294.781773 where: bonds (distance) C4'-P energy: -72.667 bonds (distance) P-C4' energy: -72.949 flat angles C4'-P-C4' energy: -59.918 flat angles P-C4'-P energy: -39.998 tors. eta vs tors. theta energy: -49.251 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: 8 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -323.921484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.921484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.921484 (E_RNA) where: Base-Base interactions energy: -108.232 where: short stacking energy: -91.870 Base-Backbone interact. energy: 0.769 local terms energy: -216.458024 where: bonds (distance) C4'-P energy: -73.848 bonds (distance) P-C4' energy: -64.632 flat angles C4'-P-C4' energy: -46.984 flat angles P-C4'-P energy: -36.740 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: 1, replica: 10 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1453.972313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.972313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.972313 (E_RNA) where: Base-Base interactions energy: -1021.898 where: short stacking energy: -434.001 Base-Backbone interact. energy: -2.761 local terms energy: -429.313897 where: bonds (distance) C4'-P energy: -71.701 bonds (distance) P-C4' energy: -72.856 flat angles C4'-P-C4' energy: -91.104 flat angles P-C4'-P energy: -62.967 tors. eta vs tors. theta energy: -130.685 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: 488 Temperature: 0.950000 Total energy: -1371.002602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.002602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.002602 (E_RNA) where: Base-Base interactions energy: -952.838 where: short stacking energy: -405.987 Base-Backbone interact. energy: -1.768 local terms energy: -416.396885 where: bonds (distance) C4'-P energy: -77.804 bonds (distance) P-C4' energy: -68.056 flat angles C4'-P-C4' energy: -85.384 flat angles P-C4'-P energy: -66.007 tors. eta vs tors. theta energy: -119.146 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: 4 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1333.068934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.068934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.068934 (E_RNA) where: Base-Base interactions energy: -918.021 where: short stacking energy: -403.459 Base-Backbone interact. energy: -0.702 local terms energy: -414.346261 where: bonds (distance) C4'-P energy: -63.134 bonds (distance) P-C4' energy: -77.196 flat angles C4'-P-C4' energy: -87.939 flat angles P-C4'-P energy: -58.796 tors. eta vs tors. theta energy: -127.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1247.752710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.752710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.752710 (E_RNA) where: Base-Base interactions energy: -850.447 where: short stacking energy: -365.409 Base-Backbone interact. energy: -1.148 local terms energy: -396.157055 where: bonds (distance) C4'-P energy: -79.775 bonds (distance) P-C4' energy: -66.771 flat angles C4'-P-C4' energy: -85.077 flat angles P-C4'-P energy: -58.344 tors. eta vs tors. theta energy: -106.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1221.998109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.998109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.998109 (E_RNA) where: Base-Base interactions energy: -832.347 where: short stacking energy: -364.719 Base-Backbone interact. energy: -0.791 local terms energy: -388.860420 where: bonds (distance) C4'-P energy: -79.290 bonds (distance) P-C4' energy: -70.436 flat angles C4'-P-C4' energy: -77.607 flat angles P-C4'-P energy: -45.428 tors. eta vs tors. theta energy: -116.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1050.405782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.405782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.405782 (E_RNA) where: Base-Base interactions energy: -700.420 where: short stacking energy: -301.710 Base-Backbone interact. energy: 4.458 local terms energy: -354.443009 where: bonds (distance) C4'-P energy: -68.462 bonds (distance) P-C4' energy: -78.593 flat angles C4'-P-C4' energy: -80.863 flat angles P-C4'-P energy: -41.643 tors. eta vs tors. theta energy: -84.881 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: 7 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -883.991601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.991601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.991601 (E_RNA) where: Base-Base interactions energy: -574.115 where: short stacking energy: -251.037 Base-Backbone interact. energy: -1.165 local terms energy: -308.711929 where: bonds (distance) C4'-P energy: -66.577 bonds (distance) P-C4' energy: -66.067 flat angles C4'-P-C4' energy: -78.173 flat angles P-C4'-P energy: -47.090 tors. eta vs tors. theta energy: -50.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -857.190398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.190398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.190398 (E_RNA) where: Base-Base interactions energy: -558.154 where: short stacking energy: -255.766 Base-Backbone interact. energy: -2.431 local terms energy: -296.604564 where: bonds (distance) C4'-P energy: -65.671 bonds (distance) P-C4' energy: -65.238 flat angles C4'-P-C4' energy: -70.481 flat angles P-C4'-P energy: -29.941 tors. eta vs tors. theta energy: -65.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -771.247826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.247826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.247826 (E_RNA) where: Base-Base interactions energy: -484.478 where: short stacking energy: -236.639 Base-Backbone interact. energy: 0.766 local terms energy: -287.536368 where: bonds (distance) C4'-P energy: -58.719 bonds (distance) P-C4' energy: -60.615 flat angles C4'-P-C4' energy: -64.174 flat angles P-C4'-P energy: -45.363 tors. eta vs tors. theta energy: -58.666 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: 10, replica: 8 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -332.373621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.373621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.373621 (E_RNA) where: Base-Base interactions energy: -103.606 where: short stacking energy: -84.894 Base-Backbone interact. energy: -1.300 local terms energy: -227.467352 where: bonds (distance) C4'-P energy: -59.946 bonds (distance) P-C4' energy: -75.166 flat angles C4'-P-C4' energy: -54.587 flat angles P-C4'-P energy: -41.595 tors. eta vs tors. theta energy: 3.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1448.628339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.628339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.628339 (E_RNA) where: Base-Base interactions energy: -1003.986 where: short stacking energy: -429.338 Base-Backbone interact. energy: -1.820 local terms energy: -442.822422 where: bonds (distance) C4'-P energy: -70.515 bonds (distance) P-C4' energy: -74.930 flat angles C4'-P-C4' energy: -101.664 flat angles P-C4'-P energy: -64.695 tors. eta vs tors. theta energy: -131.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1365.646620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.646620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.646620 (E_RNA) where: Base-Base interactions energy: -957.407 where: short stacking energy: -415.287 Base-Backbone interact. energy: -2.926 local terms energy: -405.313712 where: bonds (distance) C4'-P energy: -71.783 bonds (distance) P-C4' energy: -66.445 flat angles C4'-P-C4' energy: -84.047 flat angles P-C4'-P energy: -58.034 tors. eta vs tors. theta energy: -125.005 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: 3, replica: 4 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1332.443189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.443189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.443189 (E_RNA) where: Base-Base interactions energy: -909.541 where: short stacking energy: -403.689 Base-Backbone interact. energy: -0.202 local terms energy: -422.700567 where: bonds (distance) C4'-P energy: -68.824 bonds (distance) P-C4' energy: -83.626 flat angles C4'-P-C4' energy: -88.156 flat angles P-C4'-P energy: -60.820 tors. eta vs tors. theta energy: -121.274 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: 2 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1239.565619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.565619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.565619 (E_RNA) where: Base-Base interactions energy: -836.358 where: short stacking energy: -385.350 Base-Backbone interact. energy: -0.873 local terms energy: -402.334461 where: bonds (distance) C4'-P energy: -75.978 bonds (distance) P-C4' energy: -77.369 flat angles C4'-P-C4' energy: -79.352 flat angles P-C4'-P energy: -55.114 tors. eta vs tors. theta energy: -114.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1202.751200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.751200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.751200 (E_RNA) where: Base-Base interactions energy: -849.575 where: short stacking energy: -360.146 Base-Backbone interact. energy: -0.623 local terms energy: -352.553543 where: bonds (distance) C4'-P energy: -61.548 bonds (distance) P-C4' energy: -69.743 flat angles C4'-P-C4' energy: -66.978 flat angles P-C4'-P energy: -46.864 tors. eta vs tors. theta energy: -107.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -999.710236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.710236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.710236 (E_RNA) where: Base-Base interactions energy: -671.644 where: short stacking energy: -302.790 Base-Backbone interact. energy: 0.345 local terms energy: -328.411162 where: bonds (distance) C4'-P energy: -65.167 bonds (distance) P-C4' energy: -65.417 flat angles C4'-P-C4' energy: -78.024 flat angles P-C4'-P energy: -43.153 tors. eta vs tors. theta energy: -76.651 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: 7, replica: 7 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -904.817242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.817242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.817242 (E_RNA) where: Base-Base interactions energy: -596.118 where: short stacking energy: -255.819 Base-Backbone interact. energy: -1.522 local terms energy: -307.177436 where: bonds (distance) C4'-P energy: -58.283 bonds (distance) P-C4' energy: -75.057 flat angles C4'-P-C4' energy: -69.087 flat angles P-C4'-P energy: -41.304 tors. eta vs tors. theta energy: -63.446 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: 8, replica: 1 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -868.231495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.231495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.231495 (E_RNA) where: Base-Base interactions energy: -568.142 where: short stacking energy: -262.923 Base-Backbone interact. energy: -0.670 local terms energy: -299.419379 where: bonds (distance) C4'-P energy: -62.009 bonds (distance) P-C4' energy: -69.835 flat angles C4'-P-C4' energy: -57.603 flat angles P-C4'-P energy: -52.220 tors. eta vs tors. theta energy: -57.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -775.850169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.850169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.850169 (E_RNA) where: Base-Base interactions energy: -485.101 where: short stacking energy: -220.855 Base-Backbone interact. energy: -1.882 local terms energy: -288.867288 where: bonds (distance) C4'-P energy: -57.424 bonds (distance) P-C4' energy: -69.429 flat angles C4'-P-C4' energy: -69.083 flat angles P-C4'-P energy: -42.577 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: 10, replica: 8 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -314.436517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.436517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.436517 (E_RNA) where: Base-Base interactions energy: -108.939 where: short stacking energy: -90.797 Base-Backbone interact. energy: -1.649 local terms energy: -203.848565 where: bonds (distance) C4'-P energy: -55.964 bonds (distance) P-C4' energy: -63.740 flat angles C4'-P-C4' energy: -61.725 flat angles P-C4'-P energy: -41.375 tors. eta vs tors. theta energy: 18.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1468.301208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.301208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.301208 (E_RNA) where: Base-Base interactions energy: -1021.209 where: short stacking energy: -442.805 Base-Backbone interact. energy: 0.730 local terms energy: -447.821747 where: bonds (distance) C4'-P energy: -74.179 bonds (distance) P-C4' energy: -80.446 flat angles C4'-P-C4' energy: -90.648 flat angles P-C4'-P energy: -69.149 tors. eta vs tors. theta energy: -133.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1386.217396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.217396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.217396 (E_RNA) where: Base-Base interactions energy: -964.563 where: short stacking energy: -409.220 Base-Backbone interact. energy: -3.216 local terms energy: -418.438803 where: bonds (distance) C4'-P energy: -81.746 bonds (distance) P-C4' energy: -68.147 flat angles C4'-P-C4' energy: -89.865 flat angles P-C4'-P energy: -55.385 tors. eta vs tors. theta energy: -123.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1308.781149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.781149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.781149 (E_RNA) where: Base-Base interactions energy: -922.905 where: short stacking energy: -376.884 Base-Backbone interact. energy: 0.086 local terms energy: -385.962706 where: bonds (distance) C4'-P energy: -81.375 bonds (distance) P-C4' energy: -63.272 flat angles C4'-P-C4' energy: -86.393 flat angles P-C4'-P energy: -52.264 tors. eta vs tors. theta energy: -102.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1239.253121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.253121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.253121 (E_RNA) where: Base-Base interactions energy: -844.016 where: short stacking energy: -370.103 Base-Backbone interact. energy: -1.712 local terms energy: -393.525804 where: bonds (distance) C4'-P energy: -64.998 bonds (distance) P-C4' energy: -75.194 flat angles C4'-P-C4' energy: -82.454 flat angles P-C4'-P energy: -56.068 tors. eta vs tors. theta energy: -114.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1206.407839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.407839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.407839 (E_RNA) where: Base-Base interactions energy: -840.016 where: short stacking energy: -373.890 Base-Backbone interact. energy: -2.644 local terms energy: -363.747887 where: bonds (distance) C4'-P energy: -68.740 bonds (distance) P-C4' energy: -66.440 flat angles C4'-P-C4' energy: -85.838 flat angles P-C4'-P energy: -46.675 tors. eta vs tors. theta energy: -96.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1042.704590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.704590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.704590 (E_RNA) where: Base-Base interactions energy: -692.853 where: short stacking energy: -303.104 Base-Backbone interact. energy: -0.763 local terms energy: -349.089162 where: bonds (distance) C4'-P energy: -71.647 bonds (distance) P-C4' energy: -78.595 flat angles C4'-P-C4' energy: -70.601 flat angles P-C4'-P energy: -49.689 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: 7, replica: 7 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -916.861936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.861936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.861936 (E_RNA) where: Base-Base interactions energy: -584.074 where: short stacking energy: -259.974 Base-Backbone interact. energy: -1.496 local terms energy: -331.291823 where: bonds (distance) C4'-P energy: -72.154 bonds (distance) P-C4' energy: -69.756 flat angles C4'-P-C4' energy: -74.238 flat angles P-C4'-P energy: -42.976 tors. eta vs tors. theta energy: -72.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -832.855245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.855245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.855245 (E_RNA) where: Base-Base interactions energy: -521.683 where: short stacking energy: -250.923 Base-Backbone interact. energy: -1.503 local terms energy: -309.669231 where: bonds (distance) C4'-P energy: -72.339 bonds (distance) P-C4' energy: -69.807 flat angles C4'-P-C4' energy: -66.653 flat angles P-C4'-P energy: -41.802 tors. eta vs tors. theta energy: -59.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -741.417574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.417574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.417574 (E_RNA) where: Base-Base interactions energy: -469.266 where: short stacking energy: -225.959 Base-Backbone interact. energy: 2.420 local terms energy: -274.571995 where: bonds (distance) C4'-P energy: -64.310 bonds (distance) P-C4' energy: -59.852 flat angles C4'-P-C4' energy: -66.301 flat angles P-C4'-P energy: -45.463 tors. eta vs tors. theta energy: -38.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -328.736684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.736684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.736684 (E_RNA) where: Base-Base interactions energy: -109.989 where: short stacking energy: -73.704 Base-Backbone interact. energy: 3.128 local terms energy: -221.876364 where: bonds (distance) C4'-P energy: -62.544 bonds (distance) P-C4' energy: -68.270 flat angles C4'-P-C4' energy: -61.358 flat angles P-C4'-P energy: -42.970 tors. eta vs tors. theta energy: 13.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1473.587797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.587797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.587797 (E_RNA) where: Base-Base interactions energy: -1031.878 where: short stacking energy: -431.077 Base-Backbone interact. energy: 0.249 local terms energy: -441.958726 where: bonds (distance) C4'-P energy: -74.343 bonds (distance) P-C4' energy: -78.142 flat angles C4'-P-C4' energy: -95.069 flat angles P-C4'-P energy: -66.309 tors. eta vs tors. theta energy: -128.096 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: 2, replica: 6 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1372.802486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.802486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.802486 (E_RNA) where: Base-Base interactions energy: -956.454 where: short stacking energy: -401.711 Base-Backbone interact. energy: -3.122 local terms energy: -413.226989 where: bonds (distance) C4'-P energy: -77.528 bonds (distance) P-C4' energy: -68.795 flat angles C4'-P-C4' energy: -85.473 flat angles P-C4'-P energy: -61.490 tors. eta vs tors. theta energy: -119.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1309.751694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.751694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.751694 (E_RNA) where: Base-Base interactions energy: -911.919 where: short stacking energy: -383.316 Base-Backbone interact. energy: -1.164 local terms energy: -396.668658 where: bonds (distance) C4'-P energy: -66.072 bonds (distance) P-C4' energy: -80.983 flat angles C4'-P-C4' energy: -79.412 flat angles P-C4'-P energy: -54.061 tors. eta vs tors. theta energy: -116.141 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: 4, replica: 2 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1240.422431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.422431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.422431 (E_RNA) where: Base-Base interactions energy: -842.036 where: short stacking energy: -371.858 Base-Backbone interact. energy: -0.592 local terms energy: -397.794610 where: bonds (distance) C4'-P energy: -64.464 bonds (distance) P-C4' energy: -78.184 flat angles C4'-P-C4' energy: -87.475 flat angles P-C4'-P energy: -55.165 tors. eta vs tors. theta energy: -112.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1166.916812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.916812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.916812 (E_RNA) where: Base-Base interactions energy: -809.609 where: short stacking energy: -357.461 Base-Backbone interact. energy: 1.986 local terms energy: -359.294044 where: bonds (distance) C4'-P energy: -63.590 bonds (distance) P-C4' energy: -79.814 flat angles C4'-P-C4' energy: -75.982 flat angles P-C4'-P energy: -43.148 tors. eta vs tors. theta energy: -96.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1046.249599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.249599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.249599 (E_RNA) where: Base-Base interactions energy: -699.039 where: short stacking energy: -305.764 Base-Backbone interact. energy: -1.183 local terms energy: -346.028293 where: bonds (distance) C4'-P energy: -65.658 bonds (distance) P-C4' energy: -66.774 flat angles C4'-P-C4' energy: -72.064 flat angles P-C4'-P energy: -52.325 tors. eta vs tors. theta energy: -89.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -922.340146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.340146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.340146 (E_RNA) where: Base-Base interactions energy: -587.476 where: short stacking energy: -258.322 Base-Backbone interact. energy: 1.198 local terms energy: -336.062803 where: bonds (distance) C4'-P energy: -63.228 bonds (distance) P-C4' energy: -74.753 flat angles C4'-P-C4' energy: -77.973 flat angles P-C4'-P energy: -55.663 tors. eta vs tors. theta energy: -64.445 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: 1 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -858.332195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.332195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.332195 (E_RNA) where: Base-Base interactions energy: -565.610 where: short stacking energy: -260.722 Base-Backbone interact. energy: -0.824 local terms energy: -291.898834 where: bonds (distance) C4'-P energy: -54.632 bonds (distance) P-C4' energy: -58.238 flat angles C4'-P-C4' energy: -79.421 flat angles P-C4'-P energy: -41.010 tors. eta vs tors. theta energy: -58.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -690.807481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.807481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.807481 (E_RNA) where: Base-Base interactions energy: -420.545 where: short stacking energy: -195.952 Base-Backbone interact. energy: 0.332 local terms energy: -270.594249 where: bonds (distance) C4'-P energy: -69.354 bonds (distance) P-C4' energy: -55.934 flat angles C4'-P-C4' energy: -68.233 flat angles P-C4'-P energy: -37.354 tors. eta vs tors. theta energy: -39.718 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: 8 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -302.521122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.521122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.521122 (E_RNA) where: Base-Base interactions energy: -102.916 where: short stacking energy: -84.963 Base-Backbone interact. energy: -1.261 local terms energy: -198.343653 where: bonds (distance) C4'-P energy: -45.083 bonds (distance) P-C4' energy: -67.230 flat angles C4'-P-C4' energy: -46.091 flat angles P-C4'-P energy: -40.502 tors. eta vs tors. theta energy: 0.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1460.201237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.201237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.201237 (E_RNA) where: Base-Base interactions energy: -1005.514 where: short stacking energy: -434.151 Base-Backbone interact. energy: -2.170 local terms energy: -452.516838 where: bonds (distance) C4'-P energy: -72.960 bonds (distance) P-C4' energy: -77.825 flat angles C4'-P-C4' energy: -98.705 flat angles P-C4'-P energy: -71.098 tors. eta vs tors. theta energy: -131.929 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: 6 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1388.319614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.319614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.319614 (E_RNA) where: Base-Base interactions energy: -971.071 where: short stacking energy: -417.341 Base-Backbone interact. energy: -2.906 local terms energy: -414.342839 where: bonds (distance) C4'-P energy: -73.803 bonds (distance) P-C4' energy: -79.043 flat angles C4'-P-C4' energy: -86.377 flat angles P-C4'-P energy: -56.749 tors. eta vs tors. theta energy: -118.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1304.910671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.910671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.910671 (E_RNA) where: Base-Base interactions energy: -915.234 where: short stacking energy: -400.393 Base-Backbone interact. energy: 0.441 local terms energy: -390.117103 where: bonds (distance) C4'-P energy: -77.649 bonds (distance) P-C4' energy: -67.067 flat angles C4'-P-C4' energy: -80.035 flat angles P-C4'-P energy: -46.189 tors. eta vs tors. theta energy: -119.177 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: 492 Temperature: 1.050000 Total energy: -1258.578380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.578380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.578380 (E_RNA) where: Base-Base interactions energy: -857.788 where: short stacking energy: -381.029 Base-Backbone interact. energy: -1.327 local terms energy: -399.464005 where: bonds (distance) C4'-P energy: -76.945 bonds (distance) P-C4' energy: -74.979 flat angles C4'-P-C4' energy: -88.004 flat angles P-C4'-P energy: -53.268 tors. eta vs tors. theta energy: -106.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1170.734139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.734139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.734139 (E_RNA) where: Base-Base interactions energy: -794.985 where: short stacking energy: -361.319 Base-Backbone interact. energy: -2.396 local terms energy: -373.352914 where: bonds (distance) C4'-P energy: -62.760 bonds (distance) P-C4' energy: -76.697 flat angles C4'-P-C4' energy: -76.385 flat angles P-C4'-P energy: -54.719 tors. eta vs tors. theta energy: -102.793 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: 9 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1022.437313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.437313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.437313 (E_RNA) where: Base-Base interactions energy: -685.362 where: short stacking energy: -315.604 Base-Backbone interact. energy: -1.451 local terms energy: -335.624193 where: bonds (distance) C4'-P energy: -64.296 bonds (distance) P-C4' energy: -60.051 flat angles C4'-P-C4' energy: -77.142 flat angles P-C4'-P energy: -54.244 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: 7, replica: 7 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -914.627331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.627331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.627331 (E_RNA) where: Base-Base interactions energy: -599.336 where: short stacking energy: -263.318 Base-Backbone interact. energy: 1.294 local terms energy: -316.585769 where: bonds (distance) C4'-P energy: -66.905 bonds (distance) P-C4' energy: -71.239 flat angles C4'-P-C4' energy: -76.477 flat angles P-C4'-P energy: -40.784 tors. eta vs tors. theta energy: -61.180 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: 1 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -827.603508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.603508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.603508 (E_RNA) where: Base-Base interactions energy: -538.402 where: short stacking energy: -238.015 Base-Backbone interact. energy: -0.849 local terms energy: -288.352445 where: bonds (distance) C4'-P energy: -57.736 bonds (distance) P-C4' energy: -69.783 flat angles C4'-P-C4' energy: -70.979 flat angles P-C4'-P energy: -40.848 tors. eta vs tors. theta energy: -49.006 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: 5 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -668.052288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.052288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.052288 (E_RNA) where: Base-Base interactions energy: -406.087 where: short stacking energy: -196.852 Base-Backbone interact. energy: 2.371 local terms energy: -264.336249 where: bonds (distance) C4'-P energy: -70.046 bonds (distance) P-C4' energy: -71.479 flat angles C4'-P-C4' energy: -64.090 flat angles P-C4'-P energy: -30.329 tors. eta vs tors. theta energy: -28.392 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: 492 Temperature: 1.350000 Total energy: -321.688983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.688983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.688983 (E_RNA) where: Base-Base interactions energy: -117.188 where: short stacking energy: -83.297 Base-Backbone interact. energy: -1.942 local terms energy: -202.558577 where: bonds (distance) C4'-P energy: -53.160 bonds (distance) P-C4' energy: -71.216 flat angles C4'-P-C4' energy: -58.357 flat angles P-C4'-P energy: -35.767 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: 1, replica: 10 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1463.190577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.190577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.190577 (E_RNA) where: Base-Base interactions energy: -1021.776 where: short stacking energy: -431.177 Base-Backbone interact. energy: -2.227 local terms energy: -439.187481 where: bonds (distance) C4'-P energy: -79.963 bonds (distance) P-C4' energy: -74.831 flat angles C4'-P-C4' energy: -95.444 flat angles P-C4'-P energy: -59.910 tors. eta vs tors. theta energy: -129.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1369.982872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.982872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.982872 (E_RNA) where: Base-Base interactions energy: -946.579 where: short stacking energy: -409.530 Base-Backbone interact. energy: -1.340 local terms energy: -422.063296 where: bonds (distance) C4'-P energy: -77.779 bonds (distance) P-C4' energy: -74.802 flat angles C4'-P-C4' energy: -90.737 flat angles P-C4'-P energy: -60.393 tors. eta vs tors. theta energy: -118.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1294.808478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.808478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.808478 (E_RNA) where: Base-Base interactions energy: -881.441 where: short stacking energy: -360.589 Base-Backbone interact. energy: -0.935 local terms energy: -412.431761 where: bonds (distance) C4'-P energy: -72.323 bonds (distance) P-C4' energy: -80.707 flat angles C4'-P-C4' energy: -86.212 flat angles P-C4'-P energy: -58.855 tors. eta vs tors. theta energy: -114.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1212.461993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.461993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.461993 (E_RNA) where: Base-Base interactions energy: -846.826 where: short stacking energy: -363.712 Base-Backbone interact. energy: 0.188 local terms energy: -365.824313 where: bonds (distance) C4'-P energy: -71.937 bonds (distance) P-C4' energy: -61.460 flat angles C4'-P-C4' energy: -76.257 flat angles P-C4'-P energy: -58.988 tors. eta vs tors. theta energy: -97.182 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: 2 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1231.892829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.892829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.892829 (E_RNA) where: Base-Base interactions energy: -846.294 where: short stacking energy: -374.119 Base-Backbone interact. energy: 0.678 local terms energy: -386.277163 where: bonds (distance) C4'-P energy: -72.620 bonds (distance) P-C4' energy: -69.795 flat angles C4'-P-C4' energy: -84.533 flat angles P-C4'-P energy: -46.998 tors. eta vs tors. theta energy: -112.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -970.682407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.682407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.682407 (E_RNA) where: Base-Base interactions energy: -650.321 where: short stacking energy: -282.851 Base-Backbone interact. energy: -1.011 local terms energy: -319.350365 where: bonds (distance) C4'-P energy: -70.909 bonds (distance) P-C4' energy: -64.851 flat angles C4'-P-C4' energy: -77.098 flat angles P-C4'-P energy: -40.236 tors. eta vs tors. theta energy: -66.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -890.844435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.844435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.844435 (E_RNA) where: Base-Base interactions energy: -571.888 where: short stacking energy: -268.190 Base-Backbone interact. energy: -0.551 local terms energy: -318.405827 where: bonds (distance) C4'-P energy: -61.244 bonds (distance) P-C4' energy: -64.935 flat angles C4'-P-C4' energy: -75.145 flat angles P-C4'-P energy: -48.034 tors. eta vs tors. theta energy: -69.048 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: 8, replica: 1 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -813.552364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.552364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.552364 (E_RNA) where: Base-Base interactions energy: -520.434 where: short stacking energy: -214.788 Base-Backbone interact. energy: 3.218 local terms energy: -296.336642 where: bonds (distance) C4'-P energy: -64.072 bonds (distance) P-C4' energy: -70.535 flat angles C4'-P-C4' energy: -72.667 flat angles P-C4'-P energy: -48.608 tors. eta vs tors. theta energy: -40.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -654.606044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.606044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.606044 (E_RNA) where: Base-Base interactions energy: -404.758 where: short stacking energy: -188.339 Base-Backbone interact. energy: 1.850 local terms energy: -251.698580 where: bonds (distance) C4'-P energy: -55.607 bonds (distance) P-C4' energy: -72.579 flat angles C4'-P-C4' energy: -70.665 flat angles P-C4'-P energy: -32.070 tors. eta vs tors. theta energy: -20.777 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: 8 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -336.389625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.389625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.389625 (E_RNA) where: Base-Base interactions energy: -97.418 where: short stacking energy: -96.799 Base-Backbone interact. energy: 1.040 local terms energy: -240.011817 where: bonds (distance) C4'-P energy: -55.523 bonds (distance) P-C4' energy: -74.715 flat angles C4'-P-C4' energy: -66.481 flat angles P-C4'-P energy: -32.418 tors. eta vs tors. theta energy: -10.875 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: 10 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1471.287469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.287469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.287469 (E_RNA) where: Base-Base interactions energy: -1016.921 where: short stacking energy: -439.759 Base-Backbone interact. energy: -2.112 local terms energy: -452.254103 where: bonds (distance) C4'-P energy: -76.240 bonds (distance) P-C4' energy: -89.011 flat angles C4'-P-C4' energy: -101.401 flat angles P-C4'-P energy: -58.377 tors. eta vs tors. theta energy: -127.225 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: 6 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1386.786006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.786006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.786006 (E_RNA) where: Base-Base interactions energy: -963.108 where: short stacking energy: -407.275 Base-Backbone interact. energy: -1.998 local terms energy: -421.679844 where: bonds (distance) C4'-P energy: -71.558 bonds (distance) P-C4' energy: -73.954 flat angles C4'-P-C4' energy: -86.965 flat angles P-C4'-P energy: -59.427 tors. eta vs tors. theta energy: -129.776 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: 4 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1319.958592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.958592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.958592 (E_RNA) where: Base-Base interactions energy: -910.836 where: short stacking energy: -396.840 Base-Backbone interact. energy: -0.633 local terms energy: -408.489479 where: bonds (distance) C4'-P energy: -74.678 bonds (distance) P-C4' energy: -77.474 flat angles C4'-P-C4' energy: -84.372 flat angles P-C4'-P energy: -60.380 tors. eta vs tors. theta energy: -111.585 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: 3 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1216.245646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.245646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.245646 (E_RNA) where: Base-Base interactions energy: -833.072 where: short stacking energy: -372.366 Base-Backbone interact. energy: -0.958 local terms energy: -382.216461 where: bonds (distance) C4'-P energy: -71.242 bonds (distance) P-C4' energy: -72.481 flat angles C4'-P-C4' energy: -82.862 flat angles P-C4'-P energy: -58.078 tors. eta vs tors. theta energy: -97.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1182.384591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.384591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.384591 (E_RNA) where: Base-Base interactions energy: -803.669 where: short stacking energy: -361.497 Base-Backbone interact. energy: -0.172 local terms energy: -378.544061 where: bonds (distance) C4'-P energy: -77.445 bonds (distance) P-C4' energy: -63.757 flat angles C4'-P-C4' energy: -80.778 flat angles P-C4'-P energy: -51.750 tors. eta vs tors. theta energy: -104.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -973.243411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.243411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.243411 (E_RNA) where: Base-Base interactions energy: -618.839 where: short stacking energy: -276.960 Base-Backbone interact. energy: -1.000 local terms energy: -353.404995 where: bonds (distance) C4'-P energy: -74.198 bonds (distance) P-C4' energy: -67.267 flat angles C4'-P-C4' energy: -81.071 flat angles P-C4'-P energy: -55.706 tors. eta vs tors. theta energy: -75.163 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: 494 Temperature: 1.200000 Total energy: -849.407077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.407077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.407077 (E_RNA) where: Base-Base interactions energy: -536.405 where: short stacking energy: -261.965 Base-Backbone interact. energy: -1.047 local terms energy: -311.954947 where: bonds (distance) C4'-P energy: -66.546 bonds (distance) P-C4' energy: -71.744 flat angles C4'-P-C4' energy: -75.375 flat angles P-C4'-P energy: -54.663 tors. eta vs tors. theta energy: -43.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -893.097384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.097384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.097384 (E_RNA) where: Base-Base interactions energy: -592.940 where: short stacking energy: -251.302 Base-Backbone interact. energy: -1.094 local terms energy: -299.063273 where: bonds (distance) C4'-P energy: -52.924 bonds (distance) P-C4' energy: -74.745 flat angles C4'-P-C4' energy: -59.715 flat angles P-C4'-P energy: -46.104 tors. eta vs tors. theta energy: -65.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -668.909814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.909814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.909814 (E_RNA) where: Base-Base interactions energy: -400.064 where: short stacking energy: -191.989 Base-Backbone interact. energy: 2.893 local terms energy: -271.737904 where: bonds (distance) C4'-P energy: -70.491 bonds (distance) P-C4' energy: -65.753 flat angles C4'-P-C4' energy: -63.616 flat angles P-C4'-P energy: -38.610 tors. eta vs tors. theta energy: -33.268 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: 8 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -318.718179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.718179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.718179 (E_RNA) where: Base-Base interactions energy: -119.922 where: short stacking energy: -86.984 Base-Backbone interact. energy: 4.737 local terms energy: -203.532947 where: bonds (distance) C4'-P energy: -64.655 bonds (distance) P-C4' energy: -67.042 flat angles C4'-P-C4' energy: -47.620 flat angles P-C4'-P energy: -29.401 tors. eta vs tors. theta energy: 5.185 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: 10 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1475.220965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.220965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.220965 (E_RNA) where: Base-Base interactions energy: -1012.134 where: short stacking energy: -434.859 Base-Backbone interact. energy: 1.249 local terms energy: -464.335289 where: bonds (distance) C4'-P energy: -84.546 bonds (distance) P-C4' energy: -80.941 flat angles C4'-P-C4' energy: -92.452 flat angles P-C4'-P energy: -71.039 tors. eta vs tors. theta energy: -135.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1371.965834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.965834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.965834 (E_RNA) where: Base-Base interactions energy: -957.110 where: short stacking energy: -413.729 Base-Backbone interact. energy: -2.908 local terms energy: -411.947703 where: bonds (distance) C4'-P energy: -77.054 bonds (distance) P-C4' energy: -72.866 flat angles C4'-P-C4' energy: -85.537 flat angles P-C4'-P energy: -43.608 tors. eta vs tors. theta energy: -132.882 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: 3, replica: 4 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1302.887568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.887568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.887568 (E_RNA) where: Base-Base interactions energy: -912.209 where: short stacking energy: -382.037 Base-Backbone interact. energy: -0.667 local terms energy: -390.011459 where: bonds (distance) C4'-P energy: -77.580 bonds (distance) P-C4' energy: -59.159 flat angles C4'-P-C4' energy: -85.142 flat angles P-C4'-P energy: -51.814 tors. eta vs tors. theta energy: -116.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1256.049667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.049667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.049667 (E_RNA) where: Base-Base interactions energy: -832.354 where: short stacking energy: -397.563 Base-Backbone interact. energy: -0.978 local terms energy: -422.717822 where: bonds (distance) C4'-P energy: -69.977 bonds (distance) P-C4' energy: -87.543 flat angles C4'-P-C4' energy: -89.995 flat angles P-C4'-P energy: -54.753 tors. eta vs tors. theta energy: -120.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1187.421255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.421255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.421255 (E_RNA) where: Base-Base interactions energy: -824.699 where: short stacking energy: -350.402 Base-Backbone interact. energy: -0.985 local terms energy: -361.737164 where: bonds (distance) C4'-P energy: -68.063 bonds (distance) P-C4' energy: -73.505 flat angles C4'-P-C4' energy: -80.608 flat angles P-C4'-P energy: -51.974 tors. eta vs tors. theta energy: -87.587 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: 9 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -995.608655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.608655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.608655 (E_RNA) where: Base-Base interactions energy: -638.517 where: short stacking energy: -295.065 Base-Backbone interact. energy: 0.891 local terms energy: -357.982324 where: bonds (distance) C4'-P energy: -68.252 bonds (distance) P-C4' energy: -67.756 flat angles C4'-P-C4' energy: -84.329 flat angles P-C4'-P energy: -57.620 tors. eta vs tors. theta energy: -80.025 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: 7 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -865.581539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.581539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.581539 (E_RNA) where: Base-Base interactions energy: -551.816 where: short stacking energy: -254.556 Base-Backbone interact. energy: -1.870 local terms energy: -311.895493 where: bonds (distance) C4'-P energy: -60.185 bonds (distance) P-C4' energy: -79.156 flat angles C4'-P-C4' energy: -60.594 flat angles P-C4'-P energy: -53.549 tors. eta vs tors. theta energy: -58.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -861.800461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.800461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.800461 (E_RNA) where: Base-Base interactions energy: -579.043 where: short stacking energy: -237.682 Base-Backbone interact. energy: -2.668 local terms energy: -280.089937 where: bonds (distance) C4'-P energy: -69.887 bonds (distance) P-C4' energy: -55.812 flat angles C4'-P-C4' energy: -72.265 flat angles P-C4'-P energy: -32.341 tors. eta vs tors. theta energy: -49.785 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: 5 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -684.086964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.086964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.086964 (E_RNA) where: Base-Base interactions energy: -391.473 where: short stacking energy: -185.336 Base-Backbone interact. energy: -1.295 local terms energy: -291.318705 where: bonds (distance) C4'-P energy: -65.033 bonds (distance) P-C4' energy: -76.885 flat angles C4'-P-C4' energy: -71.482 flat angles P-C4'-P energy: -43.214 tors. eta vs tors. theta energy: -34.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -335.336579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.336579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.336579 (E_RNA) where: Base-Base interactions energy: -132.449 where: short stacking energy: -103.769 Base-Backbone interact. energy: 0.002 local terms energy: -202.890079 where: bonds (distance) C4'-P energy: -47.963 bonds (distance) P-C4' energy: -72.427 flat angles C4'-P-C4' energy: -52.378 flat angles P-C4'-P energy: -36.122 tors. eta vs tors. theta energy: 6.000 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: 10 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1447.573941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.573941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.573941 (E_RNA) where: Base-Base interactions energy: -1020.837 where: short stacking energy: -445.483 Base-Backbone interact. energy: -1.938 local terms energy: -424.798966 where: bonds (distance) C4'-P energy: -67.492 bonds (distance) P-C4' energy: -79.652 flat angles C4'-P-C4' energy: -91.226 flat angles P-C4'-P energy: -57.246 tors. eta vs tors. theta energy: -129.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1382.320985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.320985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.320985 (E_RNA) where: Base-Base interactions energy: -950.206 where: short stacking energy: -406.034 Base-Backbone interact. energy: -0.490 local terms energy: -431.625279 where: bonds (distance) C4'-P energy: -79.194 bonds (distance) P-C4' energy: -75.846 flat angles C4'-P-C4' energy: -91.566 flat angles P-C4'-P energy: -57.016 tors. eta vs tors. theta energy: -128.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1323.842252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.842252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.842252 (E_RNA) where: Base-Base interactions energy: -910.630 where: short stacking energy: -397.923 Base-Backbone interact. energy: -0.242 local terms energy: -412.970831 where: bonds (distance) C4'-P energy: -75.138 bonds (distance) P-C4' energy: -66.766 flat angles C4'-P-C4' energy: -83.551 flat angles P-C4'-P energy: -63.091 tors. eta vs tors. theta energy: -124.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1274.264542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.264542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.264542 (E_RNA) where: Base-Base interactions energy: -870.948 where: short stacking energy: -391.724 Base-Backbone interact. energy: -1.716 local terms energy: -401.600638 where: bonds (distance) C4'-P energy: -71.316 bonds (distance) P-C4' energy: -71.795 flat angles C4'-P-C4' energy: -87.911 flat angles P-C4'-P energy: -49.861 tors. eta vs tors. theta energy: -120.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1176.602932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.602932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.602932 (E_RNA) where: Base-Base interactions energy: -809.522 where: short stacking energy: -353.649 Base-Backbone interact. energy: 2.353 local terms energy: -369.433310 where: bonds (distance) C4'-P energy: -70.850 bonds (distance) P-C4' energy: -67.376 flat angles C4'-P-C4' energy: -73.359 flat angles P-C4'-P energy: -59.908 tors. eta vs tors. theta energy: -97.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -963.347854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.347854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.347854 (E_RNA) where: Base-Base interactions energy: -635.509 where: short stacking energy: -297.147 Base-Backbone interact. energy: 1.552 local terms energy: -329.390337 where: bonds (distance) C4'-P energy: -53.119 bonds (distance) P-C4' energy: -78.317 flat angles C4'-P-C4' energy: -73.873 flat angles P-C4'-P energy: -51.323 tors. eta vs tors. theta energy: -72.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -892.860392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.860392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.860392 (E_RNA) where: Base-Base interactions energy: -589.726 where: short stacking energy: -272.279 Base-Backbone interact. energy: -2.510 local terms energy: -300.624900 where: bonds (distance) C4'-P energy: -63.683 bonds (distance) P-C4' energy: -67.411 flat angles C4'-P-C4' energy: -61.769 flat angles P-C4'-P energy: -46.718 tors. eta vs tors. theta energy: -61.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -838.550783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.550783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.550783 (E_RNA) where: Base-Base interactions energy: -526.630 where: short stacking energy: -219.389 Base-Backbone interact. energy: 0.962 local terms energy: -312.882966 where: bonds (distance) C4'-P energy: -70.495 bonds (distance) P-C4' energy: -68.766 flat angles C4'-P-C4' energy: -71.153 flat angles P-C4'-P energy: -49.292 tors. eta vs tors. theta energy: -53.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -676.310611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.310611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.310611 (E_RNA) where: Base-Base interactions energy: -418.648 where: short stacking energy: -211.525 Base-Backbone interact. energy: -2.099 local terms energy: -255.563407 where: bonds (distance) C4'-P energy: -59.556 bonds (distance) P-C4' energy: -62.706 flat angles C4'-P-C4' energy: -56.894 flat angles P-C4'-P energy: -46.074 tors. eta vs tors. theta energy: -30.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -341.891049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.891049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.891049 (E_RNA) where: Base-Base interactions energy: -123.969 where: short stacking energy: -89.614 Base-Backbone interact. energy: -1.473 local terms energy: -216.449234 where: bonds (distance) C4'-P energy: -71.026 bonds (distance) P-C4' energy: -59.349 flat angles C4'-P-C4' energy: -67.133 flat angles P-C4'-P energy: -28.745 tors. eta vs tors. theta energy: 9.803 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: 10 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1458.506523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.506523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.506523 (E_RNA) where: Base-Base interactions energy: -1019.235 where: short stacking energy: -446.369 Base-Backbone interact. energy: -2.382 local terms energy: -436.888934 where: bonds (distance) C4'-P energy: -79.801 bonds (distance) P-C4' energy: -76.469 flat angles C4'-P-C4' energy: -85.027 flat angles P-C4'-P energy: -68.831 tors. eta vs tors. theta energy: -126.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1406.747932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.747932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.747932 (E_RNA) where: Base-Base interactions energy: -979.649 where: short stacking energy: -406.996 Base-Backbone interact. energy: 1.703 local terms energy: -428.801846 where: bonds (distance) C4'-P energy: -73.241 bonds (distance) P-C4' energy: -81.188 flat angles C4'-P-C4' energy: -90.129 flat angles P-C4'-P energy: -57.667 tors. eta vs tors. theta energy: -126.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1321.378634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.378634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.378634 (E_RNA) where: Base-Base interactions energy: -908.350 where: short stacking energy: -381.606 Base-Backbone interact. energy: -0.386 local terms energy: -412.642227 where: bonds (distance) C4'-P energy: -83.343 bonds (distance) P-C4' energy: -74.884 flat angles C4'-P-C4' energy: -85.864 flat angles P-C4'-P energy: -53.829 tors. eta vs tors. theta energy: -114.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1243.742496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.742496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.742496 (E_RNA) where: Base-Base interactions energy: -826.445 where: short stacking energy: -374.559 Base-Backbone interact. energy: -2.069 local terms energy: -415.228922 where: bonds (distance) C4'-P energy: -72.683 bonds (distance) P-C4' energy: -84.310 flat angles C4'-P-C4' energy: -89.491 flat angles P-C4'-P energy: -52.192 tors. eta vs tors. theta energy: -116.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1159.452566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.452566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.452566 (E_RNA) where: Base-Base interactions energy: -797.484 where: short stacking energy: -347.953 Base-Backbone interact. energy: -0.818 local terms energy: -361.150836 where: bonds (distance) C4'-P energy: -71.515 bonds (distance) P-C4' energy: -72.905 flat angles C4'-P-C4' energy: -72.839 flat angles P-C4'-P energy: -53.443 tors. eta vs tors. theta energy: -90.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1004.528413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.528413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.528413 (E_RNA) where: Base-Base interactions energy: -643.925 where: short stacking energy: -300.068 Base-Backbone interact. energy: -0.401 local terms energy: -360.202856 where: bonds (distance) C4'-P energy: -74.754 bonds (distance) P-C4' energy: -79.147 flat angles C4'-P-C4' energy: -74.000 flat angles P-C4'-P energy: -48.502 tors. eta vs tors. theta energy: -83.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -894.494530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.494530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.494530 (E_RNA) where: Base-Base interactions energy: -591.995 where: short stacking energy: -261.739 Base-Backbone interact. energy: -2.013 local terms energy: -300.486258 where: bonds (distance) C4'-P energy: -61.599 bonds (distance) P-C4' energy: -73.477 flat angles C4'-P-C4' energy: -67.891 flat angles P-C4'-P energy: -38.338 tors. eta vs tors. theta energy: -59.181 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: 1 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -835.001870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.001870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.001870 (E_RNA) where: Base-Base interactions energy: -541.136 where: short stacking energy: -247.393 Base-Backbone interact. energy: 0.242 local terms energy: -294.107459 where: bonds (distance) C4'-P energy: -77.044 bonds (distance) P-C4' energy: -54.891 flat angles C4'-P-C4' energy: -67.378 flat angles P-C4'-P energy: -41.430 tors. eta vs tors. theta energy: -53.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -688.536670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.536670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.536670 (E_RNA) where: Base-Base interactions energy: -427.547 where: short stacking energy: -205.225 Base-Backbone interact. energy: -1.108 local terms energy: -259.882082 where: bonds (distance) C4'-P energy: -43.711 bonds (distance) P-C4' energy: -71.421 flat angles C4'-P-C4' energy: -70.116 flat angles P-C4'-P energy: -35.401 tors. eta vs tors. theta energy: -39.233 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: 10, replica: 8 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -338.933718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.933718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.933718 (E_RNA) where: Base-Base interactions energy: -129.890 where: short stacking energy: -93.076 Base-Backbone interact. energy: -0.233 local terms energy: -208.810619 where: bonds (distance) C4'-P energy: -55.479 bonds (distance) P-C4' energy: -64.399 flat angles C4'-P-C4' energy: -45.420 flat angles P-C4'-P energy: -38.369 tors. eta vs tors. theta energy: -5.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1448.002853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.002853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.002853 (E_RNA) where: Base-Base interactions energy: -1000.503 where: short stacking energy: -420.179 Base-Backbone interact. energy: -3.983 local terms energy: -443.516482 where: bonds (distance) C4'-P energy: -78.854 bonds (distance) P-C4' energy: -83.839 flat angles C4'-P-C4' energy: -89.739 flat angles P-C4'-P energy: -61.058 tors. eta vs tors. theta energy: -130.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1391.498611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.498611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.498611 (E_RNA) where: Base-Base interactions energy: -969.692 where: short stacking energy: -409.859 Base-Backbone interact. energy: 0.881 local terms energy: -422.688056 where: bonds (distance) C4'-P energy: -69.484 bonds (distance) P-C4' energy: -84.589 flat angles C4'-P-C4' energy: -88.758 flat angles P-C4'-P energy: -55.602 tors. eta vs tors. theta energy: -124.255 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: 498 Temperature: 1.000000 Total energy: -1354.020614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.020614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.020614 (E_RNA) where: Base-Base interactions energy: -928.738 where: short stacking energy: -406.086 Base-Backbone interact. energy: -0.824 local terms energy: -424.459073 where: bonds (distance) C4'-P energy: -72.827 bonds (distance) P-C4' energy: -82.047 flat angles C4'-P-C4' energy: -86.358 flat angles P-C4'-P energy: -63.121 tors. eta vs tors. theta energy: -120.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -1243.171727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.171727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.171727 (E_RNA) where: Base-Base interactions energy: -856.987 where: short stacking energy: -358.215 Base-Backbone interact. energy: -1.242 local terms energy: -384.943012 where: bonds (distance) C4'-P energy: -61.975 bonds (distance) P-C4' energy: -74.995 flat angles C4'-P-C4' energy: -83.090 flat angles P-C4'-P energy: -55.963 tors. eta vs tors. theta energy: -108.921 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: 3 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1158.699112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.699112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.699112 (E_RNA) where: Base-Base interactions energy: -800.825 where: short stacking energy: -337.414 Base-Backbone interact. energy: -3.189 local terms energy: -354.685148 where: bonds (distance) C4'-P energy: -58.575 bonds (distance) P-C4' energy: -75.687 flat angles C4'-P-C4' energy: -77.095 flat angles P-C4'-P energy: -48.089 tors. eta vs tors. theta energy: -95.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1012.758978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.758978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.758978 (E_RNA) where: Base-Base interactions energy: -661.940 where: short stacking energy: -310.440 Base-Backbone interact. energy: -0.961 local terms energy: -349.858010 where: bonds (distance) C4'-P energy: -70.594 bonds (distance) P-C4' energy: -70.555 flat angles C4'-P-C4' energy: -81.678 flat angles P-C4'-P energy: -44.000 tors. eta vs tors. theta energy: -83.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -886.490827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.490827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.490827 (E_RNA) where: Base-Base interactions energy: -568.684 where: short stacking energy: -247.696 Base-Backbone interact. energy: -2.617 local terms energy: -315.189420 where: bonds (distance) C4'-P energy: -73.171 bonds (distance) P-C4' energy: -63.531 flat angles C4'-P-C4' energy: -70.706 flat angles P-C4'-P energy: -43.063 tors. eta vs tors. theta energy: -64.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -817.041216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.041216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.041216 (E_RNA) where: Base-Base interactions energy: -537.965 where: short stacking energy: -239.308 Base-Backbone interact. energy: -0.302 local terms energy: -278.774863 where: bonds (distance) C4'-P energy: -52.015 bonds (distance) P-C4' energy: -75.536 flat angles C4'-P-C4' energy: -75.411 flat angles P-C4'-P energy: -27.426 tors. eta vs tors. theta energy: -48.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -663.086479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.086479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.086479 (E_RNA) where: Base-Base interactions energy: -409.898 where: short stacking energy: -219.061 Base-Backbone interact. energy: 1.561 local terms energy: -254.749993 where: bonds (distance) C4'-P energy: -50.851 bonds (distance) P-C4' energy: -57.157 flat angles C4'-P-C4' energy: -61.475 flat angles P-C4'-P energy: -37.087 tors. eta vs tors. theta energy: -48.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -308.104170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.104170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.104170 (E_RNA) where: Base-Base interactions energy: -105.836 where: short stacking energy: -97.752 Base-Backbone interact. energy: 2.869 local terms energy: -205.136741 where: bonds (distance) C4'-P energy: -67.893 bonds (distance) P-C4' energy: -62.751 flat angles C4'-P-C4' energy: -57.593 flat angles P-C4'-P energy: -17.072 tors. eta vs tors. theta energy: 0.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1451.888343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.888343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.888343 (E_RNA) where: Base-Base interactions energy: -1007.095 where: short stacking energy: -435.376 Base-Backbone interact. energy: -2.838 local terms energy: -441.954851 where: bonds (distance) C4'-P energy: -72.042 bonds (distance) P-C4' energy: -71.301 flat angles C4'-P-C4' energy: -94.806 flat angles P-C4'-P energy: -72.264 tors. eta vs tors. theta energy: -131.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1369.119012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.119012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.119012 (E_RNA) where: Base-Base interactions energy: -963.529 where: short stacking energy: -395.985 Base-Backbone interact. energy: -1.497 local terms energy: -404.092544 where: bonds (distance) C4'-P energy: -74.386 bonds (distance) P-C4' energy: -76.678 flat angles C4'-P-C4' energy: -86.684 flat angles P-C4'-P energy: -53.953 tors. eta vs tors. theta energy: -112.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -1334.351301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.351301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.351301 (E_RNA) where: Base-Base interactions energy: -921.853 where: short stacking energy: -398.596 Base-Backbone interact. energy: -0.303 local terms energy: -412.195235 where: bonds (distance) C4'-P energy: -68.299 bonds (distance) P-C4' energy: -73.757 flat angles C4'-P-C4' energy: -89.946 flat angles P-C4'-P energy: -64.471 tors. eta vs tors. theta energy: -115.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1276.389677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.389677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.389677 (E_RNA) where: Base-Base interactions energy: -879.196 where: short stacking energy: -394.817 Base-Backbone interact. energy: -0.637 local terms energy: -396.555915 where: bonds (distance) C4'-P energy: -79.913 bonds (distance) P-C4' energy: -68.517 flat angles C4'-P-C4' energy: -83.232 flat angles P-C4'-P energy: -44.805 tors. eta vs tors. theta energy: -120.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1213.126344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.126344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.126344 (E_RNA) where: Base-Base interactions energy: -844.933 where: short stacking energy: -365.570 Base-Backbone interact. energy: -3.245 local terms energy: -364.948913 where: bonds (distance) C4'-P energy: -78.372 bonds (distance) P-C4' energy: -79.015 flat angles C4'-P-C4' energy: -65.442 flat angles P-C4'-P energy: -44.625 tors. eta vs tors. theta energy: -97.495 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: 6, replica: 9 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -982.674837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.674837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.674837 (E_RNA) where: Base-Base interactions energy: -650.660 where: short stacking energy: -284.634 Base-Backbone interact. energy: -2.187 local terms energy: -329.827403 where: bonds (distance) C4'-P energy: -75.373 bonds (distance) P-C4' energy: -75.842 flat angles C4'-P-C4' energy: -71.217 flat angles P-C4'-P energy: -40.513 tors. eta vs tors. theta energy: -66.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -871.449117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.449117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.449117 (E_RNA) where: Base-Base interactions energy: -562.125 where: short stacking energy: -284.268 Base-Backbone interact. energy: -1.541 local terms energy: -307.783363 where: bonds (distance) C4'-P energy: -61.786 bonds (distance) P-C4' energy: -61.962 flat angles C4'-P-C4' energy: -70.912 flat angles P-C4'-P energy: -48.499 tors. eta vs tors. theta energy: -64.624 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: 1 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -794.080359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.080359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.080359 (E_RNA) where: Base-Base interactions energy: -519.376 where: short stacking energy: -233.668 Base-Backbone interact. energy: 1.600 local terms energy: -276.303794 where: bonds (distance) C4'-P energy: -62.783 bonds (distance) P-C4' energy: -71.932 flat angles C4'-P-C4' energy: -70.434 flat angles P-C4'-P energy: -35.414 tors. eta vs tors. theta energy: -35.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -701.785581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.785581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.785581 (E_RNA) where: Base-Base interactions energy: -455.217 where: short stacking energy: -221.985 Base-Backbone interact. energy: -2.653 local terms energy: -243.915397 where: bonds (distance) C4'-P energy: -65.068 bonds (distance) P-C4' energy: -52.153 flat angles C4'-P-C4' energy: -63.031 flat angles P-C4'-P energy: -29.912 tors. eta vs tors. theta energy: -33.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -313.610886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.610886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.610886 (E_RNA) where: Base-Base interactions energy: -118.838 where: short stacking energy: -115.129 Base-Backbone interact. energy: 4.368 local terms energy: -199.140207 where: bonds (distance) C4'-P energy: -75.363 bonds (distance) P-C4' energy: -50.780 flat angles C4'-P-C4' energy: -58.180 flat angles P-C4'-P energy: -22.361 tors. eta vs tors. theta energy: 7.544 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: 10 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1462.551146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.551146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.551146 (E_RNA) where: Base-Base interactions energy: -1028.382 where: short stacking energy: -442.223 Base-Backbone interact. energy: -1.511 local terms energy: -432.658618 where: bonds (distance) C4'-P energy: -80.314 bonds (distance) P-C4' energy: -64.911 flat angles C4'-P-C4' energy: -90.166 flat angles P-C4'-P energy: -63.692 tors. eta vs tors. theta energy: -133.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1371.287829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.287829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.287829 (E_RNA) where: Base-Base interactions energy: -972.921 where: short stacking energy: -408.578 Base-Backbone interact. energy: -1.182 local terms energy: -397.184494 where: bonds (distance) C4'-P energy: -71.786 bonds (distance) P-C4' energy: -71.130 flat angles C4'-P-C4' energy: -83.309 flat angles P-C4'-P energy: -60.067 tors. eta vs tors. theta energy: -110.893 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: 4 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1333.034814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.034814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.034814 (E_RNA) where: Base-Base interactions energy: -921.205 where: short stacking energy: -401.634 Base-Backbone interact. energy: -0.430 local terms energy: -411.399228 where: bonds (distance) C4'-P energy: -70.204 bonds (distance) P-C4' energy: -75.941 flat angles C4'-P-C4' energy: -89.983 flat angles P-C4'-P energy: -54.336 tors. eta vs tors. theta energy: -120.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1254.932841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.932841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.932841 (E_RNA) where: Base-Base interactions energy: -857.280 where: short stacking energy: -396.544 Base-Backbone interact. energy: 1.128 local terms energy: -398.780187 where: bonds (distance) C4'-P energy: -60.900 bonds (distance) P-C4' energy: -82.195 flat angles C4'-P-C4' energy: -85.325 flat angles P-C4'-P energy: -52.686 tors. eta vs tors. theta energy: -117.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1228.732884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.732884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.732884 (E_RNA) where: Base-Base interactions energy: -837.494 where: short stacking energy: -362.470 Base-Backbone interact. energy: -1.450 local terms energy: -389.788148 where: bonds (distance) C4'-P energy: -77.679 bonds (distance) P-C4' energy: -75.125 flat angles C4'-P-C4' energy: -73.041 flat angles P-C4'-P energy: -59.570 tors. eta vs tors. theta energy: -104.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -938.530514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.530514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.530514 (E_RNA) where: Base-Base interactions energy: -616.216 where: short stacking energy: -280.496 Base-Backbone interact. energy: -0.466 local terms energy: -321.849111 where: bonds (distance) C4'-P energy: -70.152 bonds (distance) P-C4' energy: -74.139 flat angles C4'-P-C4' energy: -68.233 flat angles P-C4'-P energy: -39.490 tors. eta vs tors. theta energy: -69.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -899.967246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.967246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.967246 (E_RNA) where: Base-Base interactions energy: -594.189 where: short stacking energy: -254.491 Base-Backbone interact. energy: -1.663 local terms energy: -304.114474 where: bonds (distance) C4'-P energy: -66.516 bonds (distance) P-C4' energy: -63.206 flat angles C4'-P-C4' energy: -73.317 flat angles P-C4'-P energy: -44.686 tors. eta vs tors. theta energy: -56.391 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: 1 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -792.996438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.996438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.996438 (E_RNA) where: Base-Base interactions energy: -522.531 where: short stacking energy: -229.640 Base-Backbone interact. energy: -0.541 local terms energy: -269.924378 where: bonds (distance) C4'-P energy: -70.121 bonds (distance) P-C4' energy: -51.175 flat angles C4'-P-C4' energy: -73.688 flat angles P-C4'-P energy: -34.756 tors. eta vs tors. theta energy: -40.184 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: 5 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -665.079044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.079044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.079044 (E_RNA) where: Base-Base interactions energy: -404.240 where: short stacking energy: -203.729 Base-Backbone interact. energy: -3.499 local terms energy: -257.339603 where: bonds (distance) C4'-P energy: -61.638 bonds (distance) P-C4' energy: -55.386 flat angles C4'-P-C4' energy: -61.253 flat angles P-C4'-P energy: -43.124 tors. eta vs tors. theta energy: -35.938 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: 8 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -324.958330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.958330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.958330 (E_RNA) where: Base-Base interactions energy: -113.995 where: short stacking energy: -95.530 Base-Backbone interact. energy: -1.375 local terms energy: -209.589134 where: bonds (distance) C4'-P energy: -67.948 bonds (distance) P-C4' energy: -68.735 flat angles C4'-P-C4' energy: -52.857 flat angles P-C4'-P energy: -23.849 tors. eta vs tors. theta energy: 3.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1458.684291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.684291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.684291 (E_RNA) where: Base-Base interactions energy: -1014.160 where: short stacking energy: -438.922 Base-Backbone interact. energy: 0.742 local terms energy: -445.265927 where: bonds (distance) C4'-P energy: -81.330 bonds (distance) P-C4' energy: -79.560 flat angles C4'-P-C4' energy: -91.059 flat angles P-C4'-P energy: -62.757 tors. eta vs tors. theta energy: -130.561 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: 501 Temperature: 0.950000 Total energy: -1388.420138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.420138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.420138 (E_RNA) where: Base-Base interactions energy: -983.278 where: short stacking energy: -409.112 Base-Backbone interact. energy: -0.907 local terms energy: -404.235114 where: bonds (distance) C4'-P energy: -69.069 bonds (distance) P-C4' energy: -75.175 flat angles C4'-P-C4' energy: -87.692 flat angles P-C4'-P energy: -58.686 tors. eta vs tors. theta energy: -113.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1339.938512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.938512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.938512 (E_RNA) where: Base-Base interactions energy: -923.635 where: short stacking energy: -402.350 Base-Backbone interact. energy: -0.608 local terms energy: -415.695101 where: bonds (distance) C4'-P energy: -72.281 bonds (distance) P-C4' energy: -76.424 flat angles C4'-P-C4' energy: -86.692 flat angles P-C4'-P energy: -61.481 tors. eta vs tors. theta energy: -118.816 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: 3 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1254.544021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.544021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.544021 (E_RNA) where: Base-Base interactions energy: -874.553 where: short stacking energy: -377.464 Base-Backbone interact. energy: -0.374 local terms energy: -379.616615 where: bonds (distance) C4'-P energy: -71.140 bonds (distance) P-C4' energy: -76.943 flat angles C4'-P-C4' energy: -78.845 flat angles P-C4'-P energy: -45.431 tors. eta vs tors. theta energy: -107.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -1246.781774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.781774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.781774 (E_RNA) where: Base-Base interactions energy: -836.103 where: short stacking energy: -382.451 Base-Backbone interact. energy: -1.671 local terms energy: -409.008305 where: bonds (distance) C4'-P energy: -77.688 bonds (distance) P-C4' energy: -77.082 flat angles C4'-P-C4' energy: -84.679 flat angles P-C4'-P energy: -54.157 tors. eta vs tors. theta energy: -115.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1008.150184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.150184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.150184 (E_RNA) where: Base-Base interactions energy: -665.395 where: short stacking energy: -304.605 Base-Backbone interact. energy: -0.898 local terms energy: -341.856904 where: bonds (distance) C4'-P energy: -62.363 bonds (distance) P-C4' energy: -66.976 flat angles C4'-P-C4' energy: -82.109 flat angles P-C4'-P energy: -50.428 tors. eta vs tors. theta energy: -79.981 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: 7, replica: 7 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -891.149683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.149683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.149683 (E_RNA) where: Base-Base interactions energy: -600.543 where: short stacking energy: -272.941 Base-Backbone interact. energy: -0.782 local terms energy: -289.824949 where: bonds (distance) C4'-P energy: -59.928 bonds (distance) P-C4' energy: -60.598 flat angles C4'-P-C4' energy: -63.158 flat angles P-C4'-P energy: -38.256 tors. eta vs tors. theta energy: -67.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -774.521109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.521109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.521109 (E_RNA) where: Base-Base interactions energy: -504.719 where: short stacking energy: -218.483 Base-Backbone interact. energy: -1.481 local terms energy: -268.321011 where: bonds (distance) C4'-P energy: -73.998 bonds (distance) P-C4' energy: -62.335 flat angles C4'-P-C4' energy: -57.824 flat angles P-C4'-P energy: -25.427 tors. eta vs tors. theta energy: -48.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -651.618339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.618339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.618339 (E_RNA) where: Base-Base interactions energy: -422.712 where: short stacking energy: -195.493 Base-Backbone interact. energy: -0.608 local terms energy: -228.298438 where: bonds (distance) C4'-P energy: -54.940 bonds (distance) P-C4' energy: -51.700 flat angles C4'-P-C4' energy: -58.393 flat angles P-C4'-P energy: -37.929 tors. eta vs tors. theta energy: -25.336 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: 8 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -333.567608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.567608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.567608 (E_RNA) where: Base-Base interactions energy: -94.426 where: short stacking energy: -80.018 Base-Backbone interact. energy: -2.569 local terms energy: -236.572969 where: bonds (distance) C4'-P energy: -75.100 bonds (distance) P-C4' energy: -72.394 flat angles C4'-P-C4' energy: -63.511 flat angles P-C4'-P energy: -27.491 tors. eta vs tors. theta energy: 1.923 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) replica 10 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 89981129 moves confirmed later: 104662178 all moves confirmed: 194643307 percent of confirmed moves: 24.330413 current total energy: -1367.867960 recalc. total energy: -1367.867960 replica 6 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 84948172 moves confirmed later: 97711173 all moves confirmed: 182659345 percent of confirmed moves: 22.832418 current total energy: -1288.500767 recalc. total energy: -1288.500767 replica 4 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 65248885 moves confirmed later: 72197231 all moves confirmed: 137446116 percent of confirmed moves: 17.180764 current total energy: -1221.542163 recalc. total energy: -1221.542163 replica 3 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 61750703 moves confirmed later: 67325610 all moves confirmed: 129076313 percent of confirmed moves: 16.134539 current total energy: -1201.808190 recalc. total energy: -1201.808190 replica 2 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 59771077 moves confirmed later: 64632972 all moves confirmed: 124404049 percent of confirmed moves: 15.550506 current total energy: -1067.512612 recalc. total energy: -1067.512612 replica 9 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 83033940 moves confirmed later: 95229296 all moves confirmed: 178263236 percent of confirmed moves: 22.282905 current total energy: -839.412584 recalc. total energy: -839.412584 replica 7 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 67267160 moves confirmed later: 74587816 all moves confirmed: 141854976 percent of confirmed moves: 17.731872 current total energy: -830.648935 recalc. total energy: -830.648935 replica 1 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 125121731 moves confirmed later: 149744125 all moves confirmed: 274865856 percent of confirmed moves: 34.358232 current total energy: -668.634834 recalc. total energy: -668.634834 replica 5 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 131956307 moves confirmed later: 158993683 all moves confirmed: 290949990 percent of confirmed moves: 36.368749 current total energy: -542.408583 recalc. total energy: -542.408583 replica 8 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 103923011 moves confirmed later: 122233687 all moves confirmed: 226156698 percent of confirmed moves: 28.269587 current total energy: -211.922843 recalc. total energy: -211.922843 out arg RESULTS//1/8uys-48fd1ef8_01 Time of doing 8000000 iterations: 24969.348 seconds